 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer08_STD_wB97XD_def2SVPD.in
 Output=30_ibuprofen_conformer08_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-46831.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46832.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer08_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer08_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.659259000000     -0.321312000000     -1.242193000000
  C                                                 1.490963000000     -0.745946000000     -0.207237000000
  C                                                -0.718090000000     -0.258894000000     -1.081887000000
  C                                                -1.309776000000     -0.623337000000      0.126200000000
  C                                                -0.482719000000     -1.046352000000      1.164346000000
  C                                                 0.893763000000     -1.109729000000      0.998704000000
  C                                                 2.987238000000     -0.775646000000     -0.362525000000
  C                                                 3.710480000000      0.390606000000      0.339713000000
  C                                                 3.287383000000      1.743851000000     -0.228396000000
  C                                                 5.224362000000      0.205410000000      0.249886000000
  C                                                -2.815068000000     -0.572574000000      0.328715000000
  C                                                -3.274676000000      0.873485000000      0.381112000000
  O                                                -3.494906000000      1.491243000000      1.389409000000
  O                                                -3.402223000000      1.428965000000     -0.848305000000
  H                                                 1.098199000000     -0.031355000000     -2.189320000000
  H                                                -1.334062000000      0.086297000000     -1.901266000000
  H                                                -0.922428000000     -1.331954000000      2.112188000000
  H                                                 1.513624000000     -1.448846000000      1.820517000000
  H                                                 3.246499000000     -0.759051000000     -1.425314000000
  H                                                 3.374941000000     -1.715698000000      0.040233000000
  H                                                 3.424573000000      0.363197000000      1.397105000000
  H                                                 2.212629000000      1.900857000000     -0.133760000000
  H                                                 3.544429000000      1.813495000000     -1.289511000000
  H                                                 3.795064000000      2.559094000000      0.290594000000
  H                                                 5.554471000000      0.218287000000     -0.792668000000
  H                                                 5.536289000000     -0.745777000000      0.686569000000
  H                                                 5.750693000000      1.005637000000      0.773849000000
  H                                                -3.026818000000     -0.959937000000      1.324718000000
  C                                                -3.586088000000     -1.398877000000     -0.707092000000
  H                                                -3.660581000000      2.353748000000     -0.711548000000
  H                                                -3.405320000000     -1.038742000000     -1.718004000000
  H                                                -4.660002000000     -1.355147000000     -0.518665000000
  H                                                -3.267355000000     -2.439875000000     -0.650623000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393980   0.000000
     3  C    1.388051   2.425314   0.000000
     4  C    2.416778   2.823181   1.393695   0.000000
     5  C    2.760657   2.422169   2.391872   1.393094   0.000000
     6  C    2.387093   1.394016   2.766017   2.419385   1.387860
     7  C    2.529767   1.504605   3.809720   4.327399   3.800687
     8  C    3.509872   2.552873   4.696278   5.126074   4.508635
     9  C    3.492810   3.070287   4.558865   5.182971   4.892712
    10  C    4.831553   3.879730   6.107531   6.587646   5.913875
    11  C    3.821234   4.342719   2.546666   1.519702   2.522419
    12  C    4.420238   5.067546   3.155754   2.483201   3.477679
    13  O    5.240970   5.693258   4.108648   3.292710   3.945036
    14  O    4.440074   5.393002   3.179308   3.088679   4.324519
    15  H    1.083417   2.143258   2.139413   3.392701   3.844034
    16  H    2.138656   3.397518   1.081647   2.148206   3.377226
    17  H    3.843827   3.398175   3.375697   2.143904   1.083198
    18  H    3.373643   2.146245   3.849738   3.394667   2.139614
    19  H    2.630392   2.136771   4.010744   4.815107   4.549280
    20  H    3.311172   2.133315   4.487130   4.811155   4.073475
    21  H    3.883479   2.746445   4.867654   5.000251   4.160281
    22  H    2.929098   2.744406   3.761992   4.341252   4.199526
    23  H    3.589407   3.455254   4.744151   5.612993   5.515257
    24  H    4.525422   4.059557   5.494845   6.017830   5.662341
    25  H    4.945335   4.217176   6.297330   6.976427   6.471235
    26  H    5.261722   4.142892   6.517802   6.870052   6.045418
    27  H    5.634529   4.709127   6.847478   7.274835   6.574083
    28  H    4.536963   4.775251   3.407849   2.120844   2.550613
    29  C    4.412533   5.143211   3.108930   2.545080   3.641079
    30  H    5.108674   6.033311   3.952379   3.884732   5.017815
    31  H    4.154745   5.132420   2.869497   2.822225   4.104826
    32  H    5.466886   6.188900   4.130092   3.489328   4.514153
    33  H    4.500729   5.070264   3.382517   2.781255   3.604194
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519364   0.000000
     8  C    3.258707   1.541545   0.000000
     9  C    3.921493   2.540855   1.527426   0.000000
    10  C    4.587418   2.518381   1.527811   2.519413   0.000000
    11  C    3.806947   5.846863   6.596258   6.551039   8.077370
    12  C    4.657300   6.517990   7.001949   6.647530   8.526265
    13  O    5.116456   7.087048   7.364160   6.977145   8.886929
    14  O    5.320893   6.776541   7.285610   6.725643   8.781861
    15  H    3.371673   2.731230   3.660338   3.433527   4.799063
    16  H    3.847533   4.667366   5.528290   5.186881   6.903229
    17  H    2.141910   4.660383   5.250973   5.715017   6.604141
    18  H    1.083792   2.718531   3.225297   4.187789   4.355803
    19  H    3.396205   1.094080   2.156921   2.774672   2.765578
    20  H    2.728023   1.093721   2.153785   3.471067   2.674877
    21  H    2.955204   2.141150   1.095706   2.137120   2.140152
    22  H    3.476422   2.795715   2.179127   1.090277   3.477393
    23  H    4.561491   2.805961   2.169460   1.094024   2.788881
    24  H    4.730669   3.492798   2.170693   1.091656   2.753975
    25  H    5.166705   2.786326   2.170779   2.790239   1.093644
    26  H    4.667219   2.756656   2.178360   3.477497   1.092130
    27  H    5.302368   3.478649   2.174674   2.759955   1.091753
    28  H    3.936963   6.248970   6.941569   7.042142   8.402099
    29  C    4.802334   6.611789   7.585378   7.573011   9.006307
    30  H    5.971824   7.355843   7.700105   6.991396   9.191405
    31  H    5.086026   6.539980   7.543994   7.399597   8.938228
    32  H    5.762547   7.670755   8.593569   8.535161  10.036267
    33  H    4.669526   6.478626   7.594904   7.787582   8.939670
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518246   0.000000
    13  O    2.417973   1.202825   0.000000
    14  O    2.395054   1.355099   2.240498   0.000000
    15  H    4.684771   5.152465   6.018490   4.917790   0.000000
    16  H    2.756865   3.097563   4.179912   2.681189   2.452083
    17  H    2.709155   3.659734   3.887222   4.747270   4.927216
    18  H    4.661641   5.512978   5.823689   6.290466   4.273248
    19  H    6.313001   6.960896   7.644150   7.023237   2.393416
    20  H    6.301283   7.144052   7.700620   7.523853   3.604368
    21  H    6.399238   6.795040   7.010830   7.265182   4.293033
    22  H    5.622231   5.606345   5.921468   5.679773   3.033270
    23  H    6.982491   7.083417   7.538746   6.971262   3.193301
    24  H    7.314550   7.268473   7.449252   7.373956   4.487035
    25  H    8.481282   8.930895   9.395377   9.038319   4.676678
    26  H    8.360815   8.963728   9.330634   9.326432   5.336458
    27  H    8.721305   9.034876   9.278784   9.305185   5.612613
    28  H    1.089454   2.076839   2.496312   3.251125   5.497863
    29  C    1.533018   2.538660   3.571614   2.837329   5.099967
    30  H    3.218757   1.879896   2.277144   0.969884   5.524356
    31  H    2.180543   2.842528   4.008100   2.616479   4.638820
    32  H    2.175834   2.774081   3.619410   3.072776   6.140065
    33  H    2.156497   3.470286   4.434772   3.876234   5.217913
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276528   0.000000
    18  H    4.931293   2.456234   0.000000
    19  H    4.682166   5.497462   3.743540   0.000000
    20  H    5.402899   4.786192   2.589425   1.754850   0.000000
    21  H    5.796597   4.720307   2.667303   3.042565   2.483016
    22  H    4.358408   5.032289   3.940599   3.132429   3.802724
    23  H    5.211250   6.435699   4.943613   2.593299   3.775202
    24  H    6.101386   6.380689   4.858932   3.775626   4.302677
    25  H    6.978417   7.265787   5.092790   2.584988   3.030573
    26  H    7.388570   6.640107   4.238157   3.115022   2.455590
    27  H    7.628577   7.196251   5.007270   3.771131   3.686198
    28  H    3.790383   2.277490   4.593524   6.852557   6.572944
    29  C    2.950155   3.879163   5.691956   6.899961   7.008195
    30  H    3.459690   5.390303   6.902425   7.609647   8.162361
    31  H    2.364193   4.573959   6.073329   6.664127   7.037159
    32  H    3.879591   4.570709   6.602591   7.980608   8.062424
    33  H    3.418081   3.789366   5.472333   6.771677   6.717277
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485308   0.000000
    23  H    3.055427   1.765526   0.000000
    24  H    2.486683   1.765631   1.765069   0.000000
    25  H    3.058197   3.799093   2.613773   3.122234   0.000000
    26  H    2.488781   4.327162   3.797667   3.756439   1.765755
    27  H    2.492391   3.760727   3.126930   2.543865   1.764199
    28  H    6.586074   6.145169   7.596539   7.745390   8.916841
    29  C    7.528739   6.696422   7.842373   8.434590   9.282907
    30  H    7.655594   5.918914   7.248316   7.525497   9.459596
    31  H    7.636542   6.535474   7.524485   8.296048   9.094736
    32  H    8.484293   7.614642   8.828770   9.352236  10.338580
    33  H    7.538720   7.009945   8.056037   8.703640   9.214696
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766646   0.000000
    28  H    8.589523   9.011750   0.000000
    29  C    9.251302   9.754504   2.152604   0.000000
    30  H    9.805315   9.622676   3.940627   3.753367   0.000000
    31  H    9.263918   9.706770   3.067186   1.088263   3.547830
    32  H   10.285343  10.752975   2.494302   1.091196   3.846030
    33  H    9.064337   9.758374   2.479929   1.090163   4.810110
                   31         32         33
    31  H    0.000000
    32  H    1.764300   0.000000
    33  H    1.766780   1.770173   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.06D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3410822           0.2605989           0.2498493
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.6785235907 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0240315650 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.6544920257 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.08D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer08_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               8.0 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.059249850152    
 DIIS: error= 3.54D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.059249850152     IErMin= 1 ErrMin= 3.54D-03
 ErrMax= 3.54D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.54D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.362 Goal=   None    Shift=    0.000
 GapD=    0.362 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.29D-03 MaxDP=4.65D-01              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.80D-03    CP:  1.09D+00
 E= -656.072018770694     Delta-E=       -0.012768920542 Rises=F Damp=F
 DIIS: error= 5.93D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.072018770694     IErMin= 2 ErrMin= 5.93D-04
 ErrMax= 5.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.93D-03
 Coeff-Com: -0.206D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.204D-01 0.102D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.41D-03 MaxDP=7.01D-02 DE=-1.28D-02 OVMax= 6.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.78D-04    CP:  1.12D+00  1.10D+00
 E= -656.072452338143     Delta-E=       -0.000433567449 Rises=F Damp=F
 DIIS: error= 5.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.072452338143     IErMin= 3 ErrMin= 5.02D-04
 ErrMax= 5.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-04 BMatP= 4.32D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.02D-03
 Coeff-Com: -0.436D-01 0.464D+00 0.579D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.434D-01 0.462D+00 0.582D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.08D-04 MaxDP=5.76D-03 DE=-4.34D-04 OVMax= 2.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.68D-05    CP:  1.12D+00  1.11D+00  1.03D+00
 E= -656.072661562894     Delta-E=       -0.000209224751 Rises=F Damp=F
 DIIS: error= 1.02D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.072661562894     IErMin= 4 ErrMin= 1.02D-04
 ErrMax= 1.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-06 BMatP= 2.96D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.02D-03
 Coeff-Com: -0.117D-01 0.615D-01 0.152D+00 0.798D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.116D-01 0.614D-01 0.152D+00 0.798D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=4.25D-05 MaxDP=1.82D-03 DE=-2.09D-04 OVMax= 8.62D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.22D-05    CP:  1.12D+00  1.11D+00  1.06D+00  1.18D+00
 E= -656.072669694533     Delta-E=       -0.000008131639 Rises=F Damp=F
 DIIS: error= 5.67D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.072669694533     IErMin= 5 ErrMin= 5.67D-05
 ErrMax= 5.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-06 BMatP= 9.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-02-0.342D-01-0.262D-01 0.318D+00 0.741D+00
 Coeff:      0.108D-02-0.342D-01-0.262D-01 0.318D+00 0.741D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.04D-05 MaxDP=9.09D-04 DE=-8.13D-06 OVMax= 3.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  1.12D+00  1.11D+00  1.08D+00  1.16D+00  9.30D-01
 E= -656.072671682300     Delta-E=       -0.000001987767 Rises=F Damp=F
 DIIS: error= 1.15D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.072671682300     IErMin= 6 ErrMin= 1.15D-05
 ErrMax= 1.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-07 BMatP= 2.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-02-0.178D-01-0.184D-01 0.101D+00 0.324D+00 0.610D+00
 Coeff:      0.101D-02-0.178D-01-0.184D-01 0.101D+00 0.324D+00 0.610D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=4.20D-06 MaxDP=1.63D-04 DE=-1.99D-06 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.40D-06    CP:  1.12D+00  1.11D+00  1.08D+00  1.17D+00  9.38D-01
                    CP:  9.67D-01
 E= -656.072671812485     Delta-E=       -0.000000130185 Rises=F Damp=F
 DIIS: error= 4.63D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.072671812485     IErMin= 7 ErrMin= 4.63D-06
 ErrMax= 4.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-08 BMatP= 1.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.323D-03-0.358D-02-0.497D-02 0.134D-03 0.472D-01 0.297D+00
 Coeff-Com:  0.663D+00
 Coeff:      0.323D-03-0.358D-02-0.497D-02 0.134D-03 0.472D-01 0.297D+00
 Coeff:      0.663D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.12D-06 MaxDP=1.22D-04 DE=-1.30D-07 OVMax= 6.65D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  1.12D+00  1.11D+00  1.08D+00  1.17D+00  9.49D-01
                    CP:  1.01D+00  1.12D+00
 E= -656.072671839474     Delta-E=       -0.000000026989 Rises=F Damp=F
 DIIS: error= 1.47D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.072671839474     IErMin= 8 ErrMin= 1.47D-06
 ErrMax= 1.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 2.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.405D-04 0.137D-02 0.122D-02-0.131D-01-0.290D-01-0.190D-01
 Coeff-Com:  0.179D+00 0.880D+00
 Coeff:     -0.405D-04 0.137D-02 0.122D-02-0.131D-01-0.290D-01-0.190D-01
 Coeff:      0.179D+00 0.880D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.72D-07 MaxDP=4.26D-05 DE=-2.70D-08 OVMax= 2.15D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.02D-07    CP:  1.12D+00  1.11D+00  1.08D+00  1.16D+00  9.51D-01
                    CP:  1.03D+00  1.16D+00  1.13D+00
 E= -656.072671841903     Delta-E=       -0.000000002429 Rises=F Damp=F
 DIIS: error= 3.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.072671841903     IErMin= 9 ErrMin= 3.15D-07
 ErrMax= 3.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-10 BMatP= 1.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.478D-04 0.916D-03 0.972D-03-0.571D-02-0.164D-01-0.378D-01
 Coeff-Com:  0.223D-01 0.358D+00 0.677D+00
 Coeff:     -0.478D-04 0.916D-03 0.972D-03-0.571D-02-0.164D-01-0.378D-01
 Coeff:      0.223D-01 0.358D+00 0.677D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=9.45D-06 DE=-2.43D-09 OVMax= 5.54D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.71D-07    CP:  1.12D+00  1.11D+00  1.08D+00  1.16D+00  9.53D-01
                    CP:  1.03D+00  1.20D+00  1.13D+00  1.01D+00
 E= -656.072671842255     Delta-E=       -0.000000000352 Rises=F Damp=F
 DIIS: error= 1.24D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.072671842255     IErMin=10 ErrMin= 1.24D-07
 ErrMax= 1.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-11 BMatP= 2.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-04 0.128D-03 0.149D-03-0.267D-03-0.156D-02-0.104D-01
 Coeff-Com: -0.113D-01-0.141D-02 0.214D+00 0.810D+00
 Coeff:     -0.105D-04 0.128D-03 0.149D-03-0.267D-03-0.156D-02-0.104D-01
 Coeff:     -0.113D-01-0.141D-02 0.214D+00 0.810D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=7.96D-08 MaxDP=3.85D-06 DE=-3.52D-10 OVMax= 2.81D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.04D-08    CP:  1.12D+00  1.11D+00  1.08D+00  1.16D+00  9.52D-01
                    CP:  1.03D+00  1.19D+00  1.15D+00  1.06D+00  9.94D-01
 E= -656.072671842298     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 5.63D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.072671842298     IErMin=11 ErrMin= 5.63D-08
 ErrMax= 5.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-12 BMatP= 2.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-05-0.747D-04-0.759D-04 0.670D-03 0.168D-02 0.964D-03
 Coeff-Com: -0.615D-02-0.500D-01-0.105D-01 0.306D+00 0.757D+00
 Coeff:      0.230D-05-0.747D-04-0.759D-04 0.670D-03 0.168D-02 0.964D-03
 Coeff:     -0.615D-02-0.500D-01-0.105D-01 0.306D+00 0.757D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.01D-08 MaxDP=1.42D-06 DE=-4.34D-11 OVMax= 9.50D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.94D-08    CP:  1.12D+00  1.11D+00  1.08D+00  1.16D+00  9.52D-01
                    CP:  1.03D+00  1.20D+00  1.15D+00  1.08D+00  1.04D+00
                    CP:  9.40D-01
 E= -656.072671842271     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 1.43D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.072671842298     IErMin=12 ErrMin= 1.43D-08
 ErrMax= 1.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-13 BMatP= 3.58D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-05-0.394D-04-0.414D-04 0.256D-03 0.748D-03 0.144D-02
 Coeff-Com: -0.474D-03-0.167D-01-0.281D-01 0.111D-01 0.258D+00 0.774D+00
 Coeff:      0.190D-05-0.394D-04-0.414D-04 0.256D-03 0.748D-03 0.144D-02
 Coeff:     -0.474D-03-0.167D-01-0.281D-01 0.111D-01 0.258D+00 0.774D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=4.62D-07 DE= 2.73D-11 OVMax= 3.16D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.55D-09    CP:  1.12D+00  1.11D+00  1.08D+00  1.16D+00  9.52D-01
                    CP:  1.03D+00  1.19D+00  1.15D+00  1.08D+00  1.05D+00
                    CP:  1.00D+00  1.05D+00
 E= -656.072671842270     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 3.53D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.072671842298     IErMin=13 ErrMin= 3.53D-09
 ErrMax= 3.53D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-14 BMatP= 3.54D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-06-0.578D-06-0.437D-06-0.195D-04-0.222D-04 0.169D-03
 Coeff-Com:  0.683D-03 0.216D-02-0.511D-02-0.353D-01-0.338D-01 0.175D+00
 Coeff-Com:  0.896D+00
 Coeff:      0.197D-06-0.578D-06-0.437D-06-0.195D-04-0.222D-04 0.169D-03
 Coeff:      0.683D-03 0.216D-02-0.511D-02-0.353D-01-0.338D-01 0.175D+00
 Coeff:      0.896D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.42D-09 MaxDP=1.66D-07 DE= 4.55D-13 OVMax= 1.29D-07

 SCF Done:  E(RwB97XD) =  -656.072671842     A.U. after   13 cycles
            NFock= 13  Conv=0.34D-08     -V/T= 2.0113
 KE= 6.487253915518D+02 PE=-3.467685346947D+03 EE= 1.190232791527D+03
 Leave Link  502 at Wed Sep  8 12:38:02 2021, MaxMem=  6442450944 cpu:            3984.7 elap:             498.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.46213456D+02

 Leave Link  801 at Wed Sep  8 12:38:03 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10073 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 2.18D-01 8.32D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.79D-02 1.01D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.63D-03 2.51D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 9.21D-04 8.18D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 9.54D-05 1.72D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.00D-06 3.44D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.09D-07 5.37D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 7.40D-09 1.48D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.33D-10 2.66D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 6.35D-12 3.52D-07.
      7 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.01D-13 4.75D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 5.77D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.216285D+03
      2 -0.207864D+01  0.135126D+03
      3 -0.547195D+00 -0.676684D+01  0.149081D+03
 Isotropic polarizability for W=    0.088559      166.83 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.247495D+03  0.428105D+02  0.400479D+01
      2  -0.128816D+03 -0.242852D+02  0.199062D+02
      3  -0.118679D+03 -0.185253D+02 -0.239110D+02
      4  -0.328258D+02  0.751618D+02 -0.241437D+02
      5   0.424413D+00 -0.260323D+02  0.592795D+02
      6  -0.122648D+02  0.143016D+02 -0.319775D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.166566D+01 -0.744057D+01  0.221600D+02
      2   0.106775D+02 -0.786989D+01  0.302649D+02
      3  -0.104477D+03 -0.428260D+02  0.104073D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.188866D+01 -0.560463D+01  0.134522D+02
      2   0.358038D+01 -0.118789D+02  0.177958D+03
      3  -0.756363D+02 -0.203978D+03  0.137676D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.796545D+00 -0.106226D+01  0.128061D+02
      2  -0.106226D+01  0.140111D+01 -0.112189D+00
      3   0.128061D+02 -0.112189D+00 -0.132589D+01
 OR G Eigenvalues:   -13.1427     1.3636    12.6508  Iso=    -0.2906
 Eigenvectors:
   (1)  -0.677703  -0.043836   0.734028
   (2)   0.026325   0.996135   0.083794
   (3)   0.734865  -0.076111   0.673930
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2906 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      -71.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.02D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.05D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.92D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.29D-02 4.81D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.62D-03 1.13D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 8.81D-05 1.83D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.20D-06 2.87D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 4.18D-08 3.51D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 5.61D-10 2.79D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 5.81D-12 2.69D-07.
     29 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 5.95D-14 2.41D-08.
      3 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 8.44D-15 6.94D-09.
      1 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 2.29D-15 4.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   273 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.56D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.33D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216285D+03 -0.207864D+01 -0.547195D+00
      2  -0.207864D+01  0.135126D+03 -0.676684D+01
      3  -0.547195D+00 -0.676684D+01  0.149081D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.166566D+01 -0.744057D+01  0.221600D+02
      2   0.106775D+02 -0.786989D+01  0.302649D+02
      3  -0.104477D+03 -0.428260D+02  0.104073D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.247495D+03  0.428105D+02  0.400479D+01
      2  -0.128816D+03 -0.242852D+02  0.199062D+02
      3  -0.118679D+03 -0.185253D+02 -0.239110D+02
      4  -0.328258D+02  0.751618D+02 -0.241437D+02
      5   0.424413D+00 -0.260323D+02  0.592795D+02
      6  -0.122648D+02  0.143016D+02 -0.319775D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.126864D+02  0.228068D+00  0.929734D+00  0.571612D+01  0.204922D+01
      2   0.228068D+00  0.794502D+00  0.826708D-01  0.204922D+01  0.200424D+01
      3   0.929734D+00  0.826708D-01  0.147218D+01 -0.745111D-01 -0.284657D+01
                 6             7             8             9            10 
      1  -0.745111D-01 -0.104953D+02  0.337895D+00 -0.160628D+00  0.303725D+02
      2  -0.284657D+01  0.337895D+00 -0.120747D+01 -0.989796D+00  0.147897D+01
      3  -0.221830D+01 -0.160628D+00 -0.989796D+00 -0.183391D+01 -0.105784D+01
                11            12            13            14            15 
      1   0.147897D+01 -0.105784D+01 -0.688682D+00  0.475190D+01  0.123613D+01
      2   0.186561D+01 -0.657488D+00  0.475190D+01 -0.876978D+00 -0.172492D+00
      3  -0.657488D+00  0.276532D+01  0.123613D+01 -0.172492D+00 -0.566264D+00
                16            17            18            19            20 
      1  -0.271156D+01  0.122838D+01  0.104274D+01  0.958179D+01 -0.338117D+00
      2   0.122838D+01  0.460881D+00 -0.880014D+00 -0.338117D+00 -0.726735D+00
      3   0.104274D+01 -0.880014D+00 -0.590302D+00 -0.836810D+00 -0.324170D+00
                21            22            23            24            25 
      1  -0.836810D+00  0.409382D+01 -0.153464D+01 -0.108319D+01 -0.129463D+02
      2  -0.324170D+00 -0.153464D+01  0.217801D+01 -0.231400D+01  0.999158D-01
      3  -0.286201D+01 -0.108319D+01 -0.231400D+01 -0.139585D+01  0.531632D+00
                26            27            28            29            30 
      1   0.999158D-01  0.531632D+00 -0.281593D+02  0.209745D+00  0.892711D+00
      2  -0.101471D+01 -0.776091D+00  0.209745D+00 -0.150141D+01  0.253720D+00
      3  -0.776091D+00 -0.154120D+01  0.892711D+00  0.253720D+00 -0.268657D+01
                31            32            33            34            35 
      1   0.232396D+01 -0.500362D+01 -0.164130D+01  0.284491D+01 -0.144682D+01
      2  -0.500362D+01  0.433777D+00  0.419945D+00 -0.144682D+01  0.454974D-01
      3  -0.164130D+01  0.419945D+00 -0.133800D+00 -0.616752D+00 -0.983728D+00
                36            37            38            39            40 
      1  -0.616752D+00  0.131057D+02 -0.304776D+00 -0.103234D+01 -0.357355D+01
      2  -0.983728D+00 -0.304776D+00 -0.199383D+01  0.140254D+01 -0.158104D+01
      3   0.385711D+00 -0.103234D+01  0.140254D+01 -0.171587D+01 -0.295374D+00
                41            42            43            44            45 
      1  -0.158104D+01 -0.295374D+00  0.111242D+02 -0.161407D+01  0.281788D-01
      2  -0.265896D+01  0.259632D+01 -0.161407D+01  0.987291D+00  0.132739D+01
      3   0.259632D+01  0.189445D+01  0.281788D-01  0.132739D+01  0.179307D+01
                46            47            48            49            50 
      1  -0.962429D+01  0.207696D+00  0.698445D+00 -0.284807D+01  0.119495D+01
      2   0.207696D+00  0.161904D+01 -0.902438D+00  0.119495D+01 -0.326740D+01
      3   0.698445D+00 -0.902438D+00  0.276532D+01  0.137224D+01  0.218180D+01
                51            52            53            54            55 
      1   0.137224D+01  0.125718D+02  0.132536D+01 -0.914330D+00 -0.147701D+02
      2   0.218180D+01  0.132536D+01 -0.771216D-01  0.141090D+01 -0.209426D+01
      3   0.112223D+01 -0.914330D+00  0.141090D+01  0.930618D+00 -0.438045D+00
                56            57            58            59            60 
      1  -0.209426D+01 -0.438045D+00 -0.542803D+01 -0.708071D+01 -0.549651D+00
      2  -0.332471D+01 -0.114969D+00 -0.708071D+01  0.223632D+01 -0.171510D+01
      3  -0.114969D+00 -0.144573D+01 -0.549651D+00 -0.171510D+01  0.163554D+00
                61            62            63            64            65 
      1  -0.557273D+01 -0.124221D+01 -0.302875D+01 -0.805994D+00  0.279914D+01
      2  -0.124221D+01 -0.292378D+01  0.615291D+00  0.279914D+01  0.360568D+01
      3  -0.302875D+01  0.615291D+00  0.503321D+01 -0.664625D-01  0.372119D+00
                66            67            68            69            70 
      1  -0.664625D-01  0.105338D+02  0.620216D+01  0.778356D+00  0.530482D+01
      2   0.372119D+00  0.620216D+01 -0.133927D+01  0.210145D+01  0.131657D+01
      3   0.234367D+01  0.778356D+00  0.210145D+01  0.426076D+00  0.347851D+01
                71            72            73            74            75 
      1   0.131657D+01  0.347851D+01  0.590706D+01 -0.216764D+01 -0.100429D+01
      2   0.292934D+01  0.476341D+00 -0.216764D+01 -0.333148D+01 -0.620343D+00
      3   0.476341D+00 -0.667609D+01 -0.100429D+01 -0.620343D+00 -0.184412D+01
                76            77            78            79            80 
      1  -0.355762D+01 -0.370855D+01 -0.858914D+00 -0.195019D+01 -0.900048D+00
      2  -0.370855D+01 -0.253661D+00 -0.280412D+01 -0.900048D+00 -0.386066D+01
      3  -0.858914D+00 -0.280412D+01 -0.103058D+01 -0.256639D+01 -0.169879D+01
                81            82            83            84            85 
      1  -0.256639D+01  0.537524D+01 -0.165448D+01 -0.346161D+00 -0.342409D+01
      2  -0.169879D+01 -0.165448D+01 -0.338791D+01 -0.503501D+00 -0.521003D+01
      3   0.505649D+01 -0.346161D+00 -0.503501D+00 -0.285255D+01 -0.818308D+00
                86            87            88            89            90 
      1  -0.521003D+01 -0.818308D+00 -0.161770D+01 -0.877456D+00 -0.427947D+01
      2   0.186533D+01 -0.369044D+01 -0.877456D+00 -0.379421D+01 -0.227290D+00
      3  -0.369044D+01 -0.346648D+00 -0.427947D+01 -0.227290D+00  0.421809D+01
                91            92            93            94            95 
      1   0.476478D+01  0.184670D+01  0.170805D+01 -0.304738D+01  0.548828D+01
      2   0.184670D+01  0.164030D+01  0.341286D+00  0.548828D+01 -0.302154D+01
      3   0.170805D+01  0.341286D+00  0.150589D+01  0.146361D+01  0.472157D+00
                96            97            98            99           100 
      1   0.146361D+01  0.258499D+01  0.202853D+01  0.237237D+01  0.114176D+01
      2   0.472157D+00  0.202853D+01  0.494341D+00  0.263962D+01 -0.125419D+01
      3   0.221142D+01  0.237237D+01  0.263962D+01 -0.311767D+01 -0.161629D+01
               101           102           103           104           105 
      1  -0.125419D+01 -0.161629D+01 -0.573278D+00 -0.604533D+00  0.117806D+01
      2   0.149303D+00  0.780065D+00 -0.604533D+00  0.210677D+01 -0.161272D+01
      3   0.780065D+00  0.667005D+00  0.117806D+01 -0.161272D+01 -0.323029D+01
               106           107           108           109           110 
      1  -0.391356D+01  0.181762D+01  0.136505D+01 -0.276406D+01  0.184969D+01
      2   0.181762D+01 -0.352404D+01 -0.329634D+01  0.184969D+01 -0.101575D+01
      3   0.136505D+01 -0.329634D+01 -0.221905D+01  0.323892D+01 -0.774938D+00
               111           112           113           114           115 
      1   0.323892D+01  0.327406D+01 -0.282663D+01 -0.168003D+01  0.655953D+01
      2  -0.774938D+00 -0.282663D+01  0.480666D+01  0.374821D+01 -0.292901D+01
      3  -0.150499D+01 -0.168003D+01  0.374821D+01  0.352836D+01 -0.332137D+01
               116           117           118           119           120 
      1  -0.292901D+01 -0.332137D+01 -0.250188D+00 -0.271474D+00 -0.128678D+01
      2   0.486831D+01  0.401843D+01 -0.271474D+00  0.179043D+01 -0.192216D+00
      3   0.401843D+01  0.892333D+01 -0.128678D+01 -0.192216D+00 -0.160832D+00
               121           122           123           124           125 
      1  -0.846900D+00  0.276158D+01 -0.416424D+00 -0.366849D+01  0.835437D+00
      2   0.276158D+01 -0.617135D+01 -0.205089D+00  0.835437D+00 -0.157189D+01
      3  -0.416424D+00 -0.205089D+00 -0.386434D-01 -0.102903D+01  0.136998D+01
               126           127           128           129           130 
      1  -0.102903D+01  0.203655D+01  0.615950D+00 -0.200272D+01  0.235230D+00
      2   0.136998D+01  0.615950D+00  0.317465D+00 -0.412701D+00  0.157079D+00
      3  -0.399623D+01 -0.200272D+01 -0.412701D+00  0.215963D+01 -0.672982D+00
               131           132           133           134           135 
      1   0.157079D+00 -0.672982D+00 -0.232621D+01 -0.841677D+00  0.261677D+01
      2   0.377864D+00 -0.556587D+00 -0.841677D+00 -0.121905D+01  0.159217D+01
      3  -0.556587D+00  0.214394D+01  0.261677D+01  0.159217D+01 -0.702671D+01
               136           137           138           139           140 
      1  -0.312613D+01  0.825213D+00 -0.212701D+01  0.144838D+01 -0.659880D+00
      2   0.825213D+00 -0.814820D+00  0.562617D+00 -0.659880D+00  0.767828D+00
      3  -0.212701D+01  0.562617D+00 -0.182164D+01  0.113288D+01 -0.547642D+00
               141           142           143           144           145 
      1   0.113288D+01 -0.254092D+01  0.719820D+00 -0.260069D+01 -0.208927D+01
      2  -0.547642D+00  0.719820D+00 -0.102217D+01  0.140016D+01 -0.673087D+00
      3   0.187569D+01 -0.260069D+01  0.140016D+01 -0.472217D+01  0.200189D+01
               146           147           148           149           150 
      1  -0.673087D+00  0.200189D+01 -0.488747D+00 -0.192032D+00  0.709179D+00
      2  -0.417461D+00  0.665236D+00 -0.192032D+00 -0.583163D+00  0.766276D+00
      3   0.665236D+00 -0.217158D+01  0.709179D+00  0.766276D+00 -0.219513D+01
               151           152           153           154           155 
      1   0.207722D+01  0.971196D+00 -0.257258D+01  0.353131D+01 -0.103775D+01
      2   0.971196D+00  0.163211D+01 -0.229700D+01 -0.103775D+01  0.901547D+00
      3  -0.257258D+01 -0.229700D+01  0.705453D+01  0.247870D+01 -0.104113D+01
               156           157           158           159           160 
      1   0.247870D+01 -0.166958D+01  0.612629D+00 -0.125326D+01  0.266011D+01
      2  -0.104113D+01  0.612629D+00 -0.791658D+00  0.834905D+00 -0.118616D+01
      3   0.230754D+01 -0.125326D+01  0.834905D+00 -0.202794D+01  0.288237D+01
               161           162           163           164           165 
      1  -0.118616D+01  0.288237D+01  0.121147D+01 -0.416385D-01 -0.148330D+01
      2   0.161558D+01 -0.205916D+01 -0.416385D-01  0.771569D+00  0.294041D+00
      3  -0.205916D+01  0.513135D+01 -0.148330D+01  0.294041D+00  0.138445D+01
               166           167           168           169           170 
      1   0.157650D+01  0.117742D+01 -0.340718D-01 -0.371136D+01  0.125577D+00
      2   0.117742D+01 -0.343667D+00 -0.656970D+00  0.125577D+00 -0.118556D+01
      3  -0.340718D-01 -0.656970D+00  0.433330D-01  0.237487D+01 -0.116839D+01
               171           172           173           174           175 
      1   0.237487D+01  0.403411D+01 -0.181337D+01  0.682840D+00 -0.408476D+01
      2  -0.116839D+01 -0.181337D+01  0.224045D+01 -0.864128D-01  0.332262D+01
      3  -0.606574D+01  0.682840D+00 -0.864128D-01  0.413094D+00 -0.239419D+00
               176           177           178           179           180 
      1   0.332262D+01 -0.239419D+00  0.475825D+01 -0.417914D+00  0.107536D+01
      2  -0.637714D+01  0.894095D+00 -0.417914D+00  0.206569D+01 -0.104160D+01
      3   0.894095D+00 -0.810986D+00  0.107536D+01 -0.104160D+01  0.344266D+00
               181           182           183           184           185 
      1  -0.698263D+00 -0.696051D+00  0.125153D+01 -0.148584D+01 -0.876294D+00
      2  -0.696051D+00 -0.852386D+00 -0.762062D-01 -0.876294D+00  0.167446D+00
      3   0.125153D+01 -0.762062D-01 -0.103844D+01  0.844965D-01  0.678224D+00
               186           187           188           189           190 
      1   0.844965D-01  0.223194D+01  0.135648D+00 -0.590286D+00 -0.857039D+01
      2   0.678224D+00  0.135648D+00  0.106795D+01  0.194831D-01  0.518714D+00
      3  -0.268372D-01 -0.590286D+00  0.194831D-01  0.702366D+01  0.357392D+00
               191           192           193           194           195 
      1   0.518714D+00  0.357392D+00  0.112361D+00 -0.147482D+01  0.726648D-01
      2  -0.235827D+01  0.104137D+00 -0.147482D+01  0.576657D+00  0.319148D+00
      3   0.104137D+00 -0.667948D+00  0.726648D-01  0.319148D+00  0.350707D+00
               196           197           198           199           200 
      1   0.424277D+00 -0.923722D-01 -0.336445D+00  0.453814D+00  0.591294D+00
      2  -0.923722D-01  0.576614D+00  0.507041D+00  0.591294D+00  0.951158D+00
      3  -0.336445D+00  0.507041D+00 -0.306388D+00 -0.101915D+01 -0.324169D+00
               201           202           203           204           205 
      1  -0.101915D+01  0.272402D+00  0.575193D+00 -0.903681D-01 -0.183561D+01
      2  -0.324169D+00  0.575193D+00  0.711870D+00 -0.681050D+00 -0.538558D+00
      3   0.136337D+01 -0.903681D-01 -0.681050D+00  0.540339D+00  0.147890D+01
               206           207           208           209           210 
      1  -0.538558D+00  0.147890D+01  0.225373D+01  0.250879D+01  0.872974D+00
      2  -0.195399D+01  0.183659D+01  0.250879D+01  0.329237D+01  0.675354D+00
      3   0.183659D+01 -0.655870D+01  0.872974D+00  0.675354D+00  0.946737D+00
               211           212           213           214           215 
      1   0.230402D+01  0.318690D+01  0.819135D+00  0.180207D+01  0.142179D+01
      2   0.318690D+01  0.674061D+01  0.188301D+01  0.142179D+01  0.338779D+01
      3   0.819135D+00  0.188301D+01  0.134876D+01  0.121420D+01  0.176449D+01
               216           217           218           219           220 
      1   0.121420D+01  0.191540D+01  0.109359D+00 -0.158388D+01  0.358081D+00
      2   0.176449D+01  0.109359D+00  0.614471D+00  0.596828D-01  0.111130D+01
      3   0.111328D+01 -0.158388D+01  0.596828D-01  0.165744D+01  0.146992D-01
               221           222           223           224           225 
      1   0.111130D+01  0.146992D-01 -0.449867D+01  0.112888D+00  0.327534D+01
      2  -0.150784D+00 -0.423038D+00  0.112888D+00 -0.972322D+00 -0.580597D-01
      3  -0.423038D+00  0.829475D-01  0.327534D+01 -0.580597D-01 -0.587020D+01
               226           227           228           229           230 
      1   0.177381D+01 -0.167499D+01  0.863591D+00 -0.391764D+01  0.321775D+01
      2  -0.167499D+01  0.169732D+01 -0.515315D+00  0.321775D+01 -0.556842D+01
      3   0.863591D+00 -0.515315D+00  0.850936D+00 -0.106297D+01  0.194914D+01
               231           232           233           234           235 
      1  -0.106297D+01  0.198347D+01 -0.931222D+00  0.159794D+01  0.446495D+01
      2   0.194914D+01 -0.931222D+00  0.217246D+01 -0.130679D+01  0.239074D+01
      3  -0.158334D+01  0.159794D+01 -0.130679D+01  0.117081D+01  0.166761D+01
               236           237           238           239           240 
      1   0.239074D+01  0.166761D+01  0.543690D+01  0.345095D+01  0.157985D+01
      2   0.194513D+01  0.885451D+00  0.345095D+01  0.352384D+01  0.179230D+01
      3   0.885451D+00  0.136765D+01  0.157985D+01  0.179230D+01  0.161693D+01
               241           242           243           244           245 
      1   0.350723D+01  0.144043D+01  0.237157D+01  0.409974D-01 -0.826683D+00
      2   0.144043D+01  0.200528D+01  0.132783D+01 -0.826683D+00 -0.660928D+00
      3   0.237157D+01  0.132783D+01  0.162360D+01  0.119693D+01  0.209559D+00
               246           247           248           249           250 
      1   0.119693D+01 -0.119954D+01 -0.115655D+01  0.359920D+00  0.261179D+01
      2   0.209559D+00 -0.115655D+01 -0.961804D+00  0.116101D+01  0.414194D+00
      3  -0.106652D+01  0.359920D+00  0.116101D+01 -0.150625D+01 -0.177406D+01
               251           252           253           254           255 
      1   0.414194D+00 -0.177406D+01  0.754376D+01 -0.787708D+00 -0.188561D+01
      2   0.155461D+01 -0.137196D+01 -0.787708D+00 -0.310958D+01 -0.100281D+01
      3  -0.137196D+01  0.507867D+01 -0.188561D+01 -0.100281D+01 -0.148330D+01
               256           257           258           259           260 
      1  -0.352781D+01 -0.280478D+01 -0.129918D+01 -0.613483D+01 -0.156590D+01
      2  -0.280478D+01  0.478399D+01 -0.388769D+00 -0.156590D+01 -0.173342D+01
      3  -0.129918D+01 -0.388769D+00 -0.235886D+01 -0.198925D+01 -0.246813D+01
               261           262           263           264           265 
      1  -0.198925D+01 -0.131314D+01  0.155834D+01 -0.601366D+00  0.243240D+01
      2  -0.246813D+01  0.155834D+01 -0.176906D+01  0.454314D+00 -0.340908D+01
      3   0.265535D+01 -0.601366D+00  0.454314D+00 -0.470008D+00  0.849918D+00
               266           267           268           269           270 
      1  -0.340908D+01  0.849918D+00 -0.459648D-02 -0.268165D+00 -0.326213D+00
      2   0.847118D+01 -0.174013D+01 -0.268165D+00  0.460349D+00  0.588702D+00
      3  -0.174013D+01  0.156782D+01 -0.326213D+00  0.588702D+00 -0.705627D+00
               271           272           273           274           275 
      1  -0.257316D+00  0.400464D+00 -0.397384D+00  0.138351D+01  0.336644D+00
      2   0.400464D+00  0.525431D+00  0.219266D+00  0.336644D+00  0.172901D+00
      3  -0.397384D+00  0.219266D+00  0.431951D+00  0.415346D+00 -0.598461D+00
               276           277           278           279           280 
      1   0.415346D+00 -0.189505D+01 -0.201671D+00 -0.745114D+00 -0.144227D+02
      2  -0.598461D+00 -0.201671D+00 -0.126182D+01  0.324968D+00 -0.172819D+01
      3   0.129508D+01 -0.745114D+00  0.324968D+00 -0.601308D+01 -0.276851D+00
               281           282           283           284           285 
      1  -0.172819D+01 -0.276851D+00  0.531052D+00 -0.109902D+01  0.127498D+00
      2  -0.137856D+01 -0.177850D+00 -0.109902D+01 -0.592806D+00  0.921469D-01
      3  -0.177850D+00 -0.108060D+01  0.127498D+00  0.921469D-01  0.333033D+00
               286           287           288           289           290 
      1   0.189198D+01  0.427950D+00 -0.101010D+01  0.287564D-01 -0.774444D+00
      2   0.427950D+00  0.525460D+00  0.108396D+00 -0.774444D+00  0.192114D+01
      3  -0.101010D+01  0.108396D+00  0.715859D-01  0.220954D+00  0.364601D+00
               291           292           293           294           295 
      1   0.220954D+00 -0.167107D+01 -0.374371D+00 -0.124029D+00  0.884566D+00
      2   0.364601D+00 -0.374371D+00 -0.896668D+01 -0.936981D+00  0.294054D+00
      3   0.470524D+00 -0.124029D+00 -0.936981D+00 -0.107496D+01  0.155676D+00
               296           297 
      1   0.294054D+00  0.155676D+00
      2   0.472619D+00 -0.704654D+00
      3  -0.704654D+00 -0.364570D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434368D+00 -0.188563D+01  0.860471D+00 -0.696694D+01 -0.238329D+01
      2   0.276302D+01 -0.250062D+01  0.949176D+01 -0.236197D+01  0.192908D+01
      3   0.179898D+02 -0.232782D+01  0.286957D+01  0.797784D+01 -0.189062D+01
                 6             7             8             9            10 
      1  -0.196676D+01 -0.188864D+01  0.161975D+01 -0.682866D+00 -0.358386D+00
      2  -0.352472D+01 -0.413398D+01 -0.121416D+01  0.295438D+01  0.133809D+01
      3   0.240366D+01  0.145500D+02  0.129022D+00  0.277167D+01 -0.314209D+02
                11            12            13            14            15 
      1   0.435011D-01  0.193853D+01  0.157087D+01  0.402116D+01 -0.884255D+01
      2   0.895729D+00 -0.405057D+01  0.517720D+01  0.122313D+00  0.635533D+00
      3  -0.828247D+00  0.609098D+00  0.101884D+02 -0.156277D+01 -0.154783D+00
                16            17            18            19            20 
      1  -0.286935D+01 -0.149287D+01 -0.387189D+01  0.532711D+00  0.111632D+01
      2  -0.253568D+02 -0.167107D+01 -0.280248D+01 -0.481395D+01 -0.128687D+01
      3  -0.249374D+01 -0.101807D+01 -0.174264D+01 -0.121500D+02 -0.534103D+00
                21            22            23            24            25 
      1  -0.153624D+01  0.574632D+01 -0.165726D+01 -0.330556D+01  0.344785D+01
      2   0.330349D+01 -0.456504D+01 -0.196155D+01  0.118097D+01 -0.922484D+00
      3   0.267125D+01  0.719247D+01  0.157642D+01 -0.315251D+01  0.181698D+02
                26            27            28            29            30 
      1   0.175383D+01 -0.162879D+01 -0.851272D+00  0.160180D+01 -0.206109D+01
      2   0.473017D+00 -0.181246D+01  0.319738D+01  0.888876D+00 -0.313689D+01
      3  -0.155254D+01 -0.422280D+01  0.297362D+02 -0.739353D-02 -0.222121D+01
                31            32            33            34            35 
      1  -0.818652D+00  0.374756D+01 -0.959461D+01 -0.435326D+01 -0.941530D+00
      2   0.482706D+01  0.317863D+00  0.241701D+01 -0.261195D+02  0.415090D+01
      3   0.724028D+01  0.480739D+01  0.129465D+01 -0.749388D+01 -0.807347D+00
                36            37            38            39            40 
      1  -0.318406D+01 -0.678320D+00 -0.477922D+00 -0.170272D+01 -0.578497D+01
      2   0.464437D-01  0.118182D+01 -0.259174D+01  0.834584D+01 -0.329900D+01
      3   0.106152D+01 -0.142896D+02 -0.124686D+01  0.306204D+01  0.150062D+02
                41            42            43            44            45 
      1   0.187477D+01  0.874524D+00 -0.113884D+01  0.292446D+01  0.225246D+01
      2   0.145590D+01 -0.184098D+01 -0.609391D+01 -0.103131D+01  0.214373D+01
      3  -0.841649D+00  0.294424D+01 -0.101426D+02  0.296926D+01  0.246575D+01
                46            47            48            49            50 
      1   0.126141D+00  0.592785D+00  0.291899D+01  0.834483D+01  0.163612D+01
      2  -0.226690D+01 -0.187165D+01  0.397514D+01 -0.398042D+01 -0.155012D+01
      3   0.135019D+02 -0.129305D+01 -0.976981D+00  0.138606D+02  0.101532D+01
                51            52            53            54            55 
      1  -0.232157D+01  0.299041D+01  0.329273D+01  0.434544D+00 -0.170763D+01
      2   0.111919D+01 -0.131470D+01  0.153218D+01 -0.218628D+01 -0.434784D+01
      3  -0.468633D+01 -0.105256D+02 -0.152054D+01 -0.138938D+01  0.162560D+02
                56            57            58            59            60 
      1  -0.253155D+00 -0.705716D+00 -0.520330D+00 -0.509914D+01 -0.891532D+00
      2   0.267205D+00 -0.718759D+00 -0.192393D+01 -0.103315D+02  0.192695D+01
      3   0.902340D+01  0.474877D+00  0.346376D+02  0.240942D+00  0.630787D+01
                61            62            63            64            65 
      1  -0.219184D+00  0.370613D+01  0.420337D+01  0.217292D+01  0.120253D+01
      2  -0.202670D+02  0.615146D+00  0.194439D+02  0.400819D+01  0.137723D+01
      3   0.947447D+01  0.107338D+02  0.159362D+01 -0.187698D+02 -0.188634D+02
                66            67            68            69            70 
      1  -0.157785D+01 -0.898199D-01 -0.156907D+01 -0.188239D+01  0.558333D+00
      2   0.123799D+02  0.473828D+01  0.994304D+01  0.163133D+00  0.112570D+02
      3  -0.172723D+01 -0.244263D+02  0.451797D+01 -0.852107D+01 -0.101938D+02
                71            72            73            74            75 
      1   0.476207D+01  0.412930D+01  0.170249D+01  0.190264D+01  0.448628D+01
      2   0.278083D+01 -0.307785D+02 -0.671191D+00 -0.377565D+01 -0.455273D+01
      3  -0.124105D+02 -0.197594D+01  0.239225D+02  0.367252D+01  0.849338D+00
                76            77            78            79            80 
      1   0.273282D+01  0.882430D+01  0.140391D+01  0.630391D+01  0.751559D+01
      2  -0.484135D+01 -0.103422D+02 -0.378518D+01 -0.111559D+02 -0.590730D+01
      3   0.972260D+01 -0.617147D+01  0.827369D+01  0.146205D+01  0.114888D+02
                81            82            83            84            85 
      1  -0.109947D+02 -0.425363D+00 -0.492580D+00  0.376675D+00 -0.484426D+00
      2   0.171253D+02 -0.496973D+01 -0.218995D+01 -0.146195D+02 -0.364383D+01
      3   0.224831D+01  0.865377D+01  0.175155D+02  0.276191D+01  0.344954D+02
                86            87            88            89            90 
      1   0.126419D+01 -0.247953D+01  0.678889D+00  0.696437D+00 -0.122603D+01
      2  -0.202914D+02 -0.536459D+00 -0.285416D+02 -0.100389D+01  0.247595D+02
      3  -0.115655D+02  0.212311D+02  0.448811D+01  0.212619D+02  0.129486D+01
                91            92            93            94            95 
      1   0.197960D+01 -0.111052D+01  0.149327D+01  0.551152D+00 -0.135756D+01
      2  -0.974799D+01  0.139676D-01 -0.131371D+01 -0.890863D+00 -0.398763D+01
      3  -0.363758D+01 -0.296836D-01 -0.506358D+00  0.327703D+02 -0.145555D+02
                96            97            98            99           100 
      1  -0.210072D+01  0.136261D+01  0.526674D+01 -0.884475D-01  0.126525D+01
      2  -0.969259D+01 -0.161488D+02 -0.956395D+01  0.109798D+02  0.505153D+01
      3  -0.120901D+01  0.265857D+01 -0.944688D+00  0.675331D+01  0.127587D+02
               101           102           103           104           105 
      1   0.192845D+01 -0.379323D+01  0.124700D+01 -0.196831D+01  0.132625D+01
      2  -0.342982D+01  0.670612D+01 -0.123360D+01  0.493486D+01  0.178973D+02
      3  -0.137947D+02  0.163864D+01 -0.625290D+01 -0.106840D+01 -0.401094D+01
               106           107           108           109           110 
      1  -0.371439D+01 -0.179576D+01  0.446013D+01 -0.323928D+01 -0.241884D+01
      2  -0.200759D+01  0.131820D+02  0.944789D+01 -0.839043D+01  0.225155D+01
      3   0.102830D+02 -0.121826D+02 -0.995207D+01 -0.600766D-02 -0.152949D+01
               111           112           113           114           115 
      1   0.220974D+01 -0.198816D+01  0.425417D+01 -0.618529D+01  0.726598D+00
      2   0.508033D+01 -0.162317D+01 -0.105325D+02 -0.144864D+02  0.214732D+01
      3  -0.392935D+00 -0.461883D+01  0.196279D+02  0.121475D+02 -0.115853D+02
               116           117           118           119           120 
      1   0.704985D+01 -0.100256D+02  0.276222D+01 -0.414469D+00  0.499179D+00
      2  -0.122878D+02 -0.317758D+02  0.376067D+01  0.493272D+00  0.194280D+01
      3   0.179963D+02  0.122309D+02 -0.351963D+01  0.473212D+01 -0.272211D+01
               121           122           123           124           125 
      1  -0.634307D+00  0.394857D+01 -0.161043D+01 -0.114699D+01  0.627246D+01
      2   0.216632D+01  0.265001D+01 -0.114724D+01 -0.804143D+00 -0.405217D+01
      3   0.884427D+01 -0.179159D+02 -0.163347D+01  0.211116D+01 -0.610548D+01
               126           127           128           129           130 
      1   0.733454D+01 -0.187536D+01 -0.205667D+01  0.102328D+01 -0.199598D+00
      2   0.152997D+02  0.440102D+01  0.893660D+00 -0.985787D+00  0.517263D+00
      3   0.515257D+01 -0.354905D+00 -0.100446D+01  0.903070D+00  0.939551D+00
               131           132           133           134           135 
      1  -0.123809D+01 -0.216782D+00  0.271431D+01  0.524625D+01 -0.469399D+01
      2  -0.829531D-01  0.656208D+00 -0.468272D+01 -0.361479D+00 -0.173563D+01
      3  -0.458475D+00  0.347869D+00  0.101036D+01  0.218128D+01 -0.172103D+01
               136           137           138           139           140 
      1  -0.194553D+01  0.321912D+01 -0.757083D+00  0.136161D+01 -0.175612D+01
      2  -0.606349D+01  0.115702D+01 -0.159587D+01  0.151686D+01 -0.764911D+00
      3   0.489386D+00 -0.180954D+01  0.611737D+00  0.110392D+00  0.150308D+01
               141           142           143           144           145 
      1  -0.557613D+00 -0.152943D+01  0.370753D+01 -0.280874D+01  0.179165D+01
      2   0.151397D+00 -0.451026D+01  0.934223D-01  0.981607D+00  0.422972D+01
      3  -0.889382D-01  0.307269D+00 -0.213062D+01  0.158859D+01  0.274420D+01
               146           147           148           149           150 
      1  -0.990371D+00 -0.223480D+01  0.106846D+01 -0.599075D-01 -0.341155D+01
      2   0.450395D+00 -0.926198D+00  0.816410D+00 -0.133824D+00  0.548410D+00
      3  -0.700425D-01 -0.188894D+01  0.155311D+01 -0.366544D+00 -0.590399D+00
               151           152           153           154           155 
      1  -0.170924D+01  0.222026D+01  0.555264D+01  0.245357D+01  0.134435D+01
      2  -0.422734D+01 -0.311666D+00 -0.981281D+00 -0.514525D+01  0.192372D+00
      3  -0.244582D+01  0.100372D+01  0.166669D+01 -0.482942D+01 -0.803918D+00
               156           157           158           159           160 
      1   0.231762D+01 -0.147615D+01  0.135014D+00 -0.356367D+01  0.240723D+01
      2  -0.259846D+00  0.967541D+00  0.207555D+00 -0.836060D+00 -0.292749D+01
      3  -0.224960D+01  0.346131D+01  0.673087D+00  0.858540D+00 -0.299938D+01
               161           162           163           164           165 
      1   0.156023D+01  0.424832D+01 -0.133357D+01 -0.632483D+00  0.112871D+01
      2  -0.279375D+00  0.219273D+01 -0.499964D+01  0.681724D+00  0.536506D+01
      3  -0.132170D+01 -0.180175D+01 -0.174914D+01 -0.352022D+01  0.576168D+00
               166           167           168           169           170 
      1   0.707019D-01 -0.364109D+00 -0.931750D+00  0.214553D+01  0.214285D+01
      2   0.613482D+00 -0.113967D+01  0.457915D+00  0.221941D+01 -0.388080D+01
      3  -0.332798D+01  0.932941D-01  0.166876D+01  0.315316D+01  0.416497D+01
               171           172           173           174           175 
      1  -0.597799D+01  0.973933D+00 -0.887592D+00  0.137556D+01 -0.149884D+01
      2  -0.200132D+02  0.484598D+01 -0.141999D+01  0.323210D+01 -0.252337D+01
      3   0.349169D+00  0.107091D+01 -0.679569D+01 -0.247483D+00 -0.366977D+01
               176           177           178           179           180 
      1   0.320118D+01 -0.330390D+01  0.156106D+01 -0.107639D+01  0.115009D+01
      2   0.567038D+01 -0.374311D+01  0.356761D+01 -0.399806D+01  0.105723D+01
      3   0.173792D+02 -0.217046D+01 -0.350577D+01 -0.666984D+01  0.185846D+01
               181           182           183           184           185 
      1  -0.229121D+01 -0.147882D+01  0.834528D+00 -0.102196D+01 -0.367323D+00
      2   0.762532D+01  0.572257D+00 -0.470715D+01  0.187095D+01  0.352156D+01
      3   0.223393D+01  0.257893D+01  0.500834D+00  0.519053D+01 -0.652599D+00
               186           187           188           189           190 
      1  -0.523202D+00  0.145639D+01  0.337051D+01 -0.388960D+01  0.633763D+00
      2  -0.650972D+00 -0.816136D+01 -0.730060D+00  0.286921D+02 -0.196563D+01
      3  -0.262418D+01  0.126407D+00 -0.370497D+01 -0.543931D+00 -0.251168D+02
               191           192           193           194           195 
      1   0.573262D+00  0.226874D+01  0.261904D+00 -0.688036D+00 -0.106928D+01
      2   0.402823D+00 -0.406193D+00  0.266176D+00  0.661986D+00  0.243965D+00
      3   0.636530D+01  0.399222D+00  0.671401D+01 -0.376788D+01 -0.109938D+01
               196           197           198           199           200 
      1   0.222226D+01  0.612671D+00  0.663138D+00  0.217216D+01 -0.839778D-01
      2  -0.338288D+01  0.100505D+01 -0.101350D+01 -0.316187D+01 -0.114607D+01
      3   0.705391D+00 -0.216758D+01 -0.259441D+01 -0.204061D+01 -0.345680D+01
               201           202           203           204           205 
      1  -0.285659D+01  0.230963D+00  0.114361D+01 -0.209055D+01 -0.279983D+01
      2   0.493033D+01 -0.354681D+00 -0.195175D+01  0.126586D+01  0.764288D+00
      3  -0.328818D+00 -0.519043D+00 -0.124271D+01  0.194612D+01 -0.217465D+01
               206           207           208           209           210 
      1  -0.358795D-01  0.145474D+02 -0.246136D+01 -0.198495D+01 -0.366160D+01
      2   0.578555D+01 -0.219019D+02  0.326995D+01  0.284003D+01  0.450920D+01
      3   0.688557D+01 -0.469531D+01 -0.428736D+01 -0.882472D+01 -0.584956D+00
               211           212           213           214           215 
      1  -0.314166D+01 -0.535367D+01 -0.569087D+01 -0.324091D+01 -0.311653D+01
      2   0.295906D+01  0.723081D+01  0.576748D+01  0.332585D+01  0.638469D+01
      3  -0.321013D+01 -0.186413D+02 -0.481501D+01 -0.634969D+00 -0.101062D+02
               216           217           218           219           220 
      1  -0.342309D+01  0.349529D+00 -0.377207D+00 -0.137779D+00  0.172962D+00
      2   0.418398D+01 -0.929997D+01  0.270759D+00  0.108804D+02  0.236591D-01
      3  -0.412852D+01 -0.468511D+00 -0.435434D+01 -0.409033D+00 -0.452767D+01
               221           222           223           224           225 
      1   0.615085D-01 -0.853846D+00 -0.705079D+00  0.242271D+01  0.112070D+01
      2  -0.229082D+01  0.379254D+00  0.154325D+02 -0.279434D+00 -0.345352D+02
      3   0.908650D+00  0.194658D+01 -0.872429D+00  0.630188D+01  0.122448D+00
               226           227           228           229           230 
      1  -0.810349D+00  0.791310D+00  0.340930D+00  0.973956D+00 -0.276256D+01
      2   0.426504D+01 -0.238922D+01  0.524301D+01 -0.394201D+01  0.102692D+02
      3   0.899597D+01 -0.105548D+02  0.296936D+01 -0.142492D+02  0.316573D+02
               231           232           233           234           235 
      1  -0.138175D+01 -0.363429D+00  0.198716D+01  0.851084D-01  0.370572D+00
      2  -0.969389D+01  0.651562D+01 -0.702467D+01  0.601257D+01  0.753732D+01
      3  -0.108232D+02  0.442656D+01 -0.125936D+02  0.690311D+01 -0.117498D+02
               236           237           238           239           240 
      1   0.860049D+00 -0.876756D+00  0.466009D+00  0.137981D+01 -0.150764D+01
      2   0.412712D+01  0.898439D+01  0.641112D+01  0.906803D+01  0.974747D+01
      3  -0.124863D+02 -0.474785D+01 -0.157940D+02 -0.202294D+02 -0.981061D+01
               241           242           243           244           245 
      1  -0.532285D+00  0.157132D+01 -0.650728D+00  0.174612D+00 -0.410635D+00
      2   0.104943D+02  0.691299D+01  0.852329D+01 -0.505386D+01 -0.431025D+00
      3  -0.668433D+01 -0.118977D+02 -0.696146D+01 -0.300607D+01 -0.218403D+01
               246           247           248           249           250 
      1  -0.632195D+00 -0.162689D+00  0.183164D+00 -0.163566D+01 -0.617851D+00
      2   0.361715D+01  0.461947D-01 -0.307514D+01  0.523056D+01  0.100156D+01
      3  -0.205908D-01 -0.107330D+01 -0.231031D+01  0.318419D+01 -0.948613D+00
               251           252           253           254           255 
      1   0.213109D+01  0.266683D+01 -0.195347D+01  0.834511D+00 -0.231512D+01
      2   0.442467D+01 -0.161329D+02  0.170479D+02  0.465224D+01  0.813694D+01
      3   0.464629D+01 -0.334061D+01 -0.146266D+02 -0.126182D+02 -0.867532D+00
               256           257           258           259           260 
      1  -0.115865D+01 -0.595746D+01 -0.575303D+01 -0.125022D+01 -0.118790D+01
      2   0.441663D+01 -0.197651D+00  0.845758D+01  0.547665D+01  0.949705D+01
      3  -0.455102D+01  0.230994D+02  0.107518D+01  0.914819D+00 -0.238999D+01
               261           262           263           264           265 
      1   0.765569D+01 -0.148463D+00  0.632498D+00  0.779039D+00  0.101495D+01
      2  -0.146789D+02  0.117789D+01 -0.824169D+00  0.167471D+01 -0.150922D+01
      3  -0.693363D+01  0.340762D+01 -0.445903D+01  0.156256D+01 -0.717225D+01
               266           267           268           269           270 
      1  -0.386682D+01 -0.295455D+01 -0.301192D+00  0.300417D+00 -0.406401D+00
      2   0.455276D+01 -0.553898D+01  0.462027D+00 -0.154629D+01  0.190230D+01
      3   0.273662D+02 -0.547122D+01 -0.684418D+00  0.173505D+01  0.182286D+01
               271           272           273           274           275 
      1  -0.173143D+01 -0.758797D+00  0.475553D+00 -0.116541D+00 -0.218344D+01
      2   0.422510D+01  0.123318D+00 -0.212963D+01  0.119353D+01  0.317732D+01
      3   0.206534D+01  0.105966D+01  0.980547D+00  0.833800D+00  0.522126D+00
               276           277           278           279           280 
      1   0.211052D+01 -0.203123D+00  0.458316D+01 -0.102372D+02  0.808146D+00
      2  -0.545086D+01 -0.238132D+01 -0.236166D+01  0.240198D+02 -0.860622D+01
      3  -0.269320D+01  0.125191D+01 -0.460544D+01  0.273991D+01  0.137800D+02
               281           282           283           284           285 
      1   0.804437D+00 -0.197496D+01  0.930066D+00  0.523760D+00  0.169935D-01
      2  -0.209113D+00  0.771571D+01 -0.821929D+00 -0.103132D+01 -0.117706D+01
      3  -0.631747D+01 -0.677293D+00 -0.374179D+01 -0.831967D+00  0.295782D+00
               286           287           288           289           290 
      1  -0.175127D+01  0.840975D+00 -0.813341D-01  0.110737D+01 -0.732955D+00
      2   0.402703D+01 -0.688809D+00 -0.572558D+00 -0.702467D+00 -0.186882D+01
      3  -0.100849D+01  0.160806D+01  0.196445D+01 -0.454516D+01  0.719875D+01
               291           292           293           294           295 
      1   0.149661D+01 -0.400455D+00  0.581646D+01 -0.364837D+01  0.720951D+00
      2  -0.156883D+01 -0.101334D+01  0.395228D+01  0.385833D+01 -0.170045D+01
      3   0.511881D+00  0.454452D+01 -0.319548D+02 -0.264800D+01 -0.699263D+00
               296           297 
      1  -0.342091D+00 -0.159957D-01
      2   0.239589D+01  0.143141D+01
      3   0.102373D+01 -0.258473D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133413D+01 -0.903513D+01  0.223584D+02  0.156994D+02 -0.386733D+01
      2   0.537387D+01  0.397428D+01 -0.792966D+01 -0.340675D+01  0.421532D+01
      3  -0.403975D+01  0.506085D+01 -0.144288D+02 -0.122927D+02 -0.347989D+00
      4  -0.409705D+01  0.305338D+01 -0.505297D+00  0.849968D+01  0.416675D+01
      5   0.180090D+02  0.109444D+01 -0.767112D+01 -0.457785D+01 -0.308544D+01
      6   0.966990D+00 -0.299211D+01  0.320711D+00 -0.147763D+01  0.401265D+01
                 6             7             8             9            10 
      1  -0.165486D+02 -0.228024D+02 -0.998831D+01  0.583748D+01  0.509122D+02
      2   0.137704D+01  0.287671D+01  0.226208D+01  0.348612D+01 -0.187943D+02
      3   0.151716D+02  0.199257D+02  0.772623D+01 -0.932360D+01 -0.321179D+02
      4  -0.429841D+01  0.259182D+01 -0.187658D+01 -0.530724D+01 -0.104673D+02
      5  -0.461123D+01  0.881218D+01 -0.449373D+01  0.602539D+01 -0.245927D+01
      6   0.124382D+02 -0.688654D+01  0.451317D+01  0.139358D+02  0.141547D+01
                11            12            13            14            15 
      1   0.726336D+01 -0.901001D+00  0.107760D+02 -0.394619D+00  0.679019D+01
      2  -0.589383D+01  0.281104D+01 -0.105887D+02  0.725995D+01 -0.611241D+00
      3  -0.136953D+01 -0.191004D+01 -0.187245D+00 -0.686533D+01 -0.617895D+01
      4   0.175317D+01 -0.317934D+01  0.177391D+02 -0.497775D+01 -0.156736D+01
      5  -0.371720D+01  0.691728D+01  0.108968D+02 -0.689737D+00 -0.219728D+01
      6   0.351431D+00 -0.600928D+01 -0.511699D+01  0.399213D+01  0.758566D+01
                16            17            18            19            20 
      1  -0.102618D+02  0.786217D+01 -0.200608D+02 -0.123730D+01  0.580087D+01
      2  -0.430201D+00  0.331201D+01  0.275937D+01 -0.101261D+01 -0.246020D+01
      3   0.106920D+02 -0.111742D+02  0.173014D+02  0.224991D+01 -0.334067D+01
      4   0.154269D+02  0.401817D-01 -0.798466D+00  0.455667D+01 -0.102320D+01
      5  -0.158439D+02 -0.191393D+01 -0.308365D+01 -0.154273D+02  0.191139D+01
      6  -0.411135D+01  0.236135D+01 -0.500182D+01  0.187053D+01  0.417253D+01
                21            22            23            24            25 
      1  -0.266421D+02 -0.100547D+02 -0.465363D+01 -0.728021D+01  0.223317D+02
      2   0.702781D+01 -0.158809D+01  0.579085D+01  0.250531D+00 -0.131898D+01
      3   0.196143D+02  0.116428D+02 -0.113721D+01  0.702968D+01 -0.210127D+02
      4   0.204222D+01  0.471481D+01 -0.105469D+01  0.402522D+01  0.266231D+01
      5  -0.281444D+01  0.593546D+00  0.273904D+01  0.752311D+01  0.966266D+01
      6   0.449448D+01  0.235892D+01  0.309396D+01  0.834260D+01  0.109544D+02
                26            27            28            29            30 
      1  -0.889603D+01  0.878444D+01  0.176767D+02 -0.285619D+01  0.189690D+01
      2   0.207140D+01 -0.186881D+01 -0.550424D+01  0.575312D+01  0.365746D+00
      3   0.682463D+01 -0.691562D+01 -0.121725D+02 -0.289693D+01 -0.226264D+01
      4   0.360754D+01  0.689505D+01  0.170743D+02  0.223142D+01 -0.208468D+01
      5   0.555922D+01 -0.485745D+01  0.137972D+01 -0.150619D+01  0.798974D+01
      6   0.195263D+01  0.107315D+02  0.411047D+01 -0.870576D+00  0.476860D+01
                31            32            33            34            35 
      1  -0.377146D+01 -0.156826D+01  0.909246D+01 -0.999892D+01  0.100882D+02
      2   0.913630D+01  0.537893D+01 -0.239624D+01  0.305043D+01  0.171381D+01
      3  -0.536484D+01 -0.381067D+01 -0.669622D+01  0.694849D+01 -0.118020D+02
      4   0.157667D+02  0.106599D+01  0.157433D+01  0.118485D+02  0.506651D+01
      5   0.140843D+02 -0.287865D+00  0.171448D+01 -0.183307D+02  0.392929D+01
      6  -0.128287D+01  0.364742D+01  0.623242D+01 -0.115534D+01  0.212770D+01
                36            37            38            39            40 
      1  -0.226986D+02  0.112120D+02 -0.122095D+02  0.251059D+02  0.384568D+01
      2   0.457475D+01 -0.372263D-01  0.941498D+01 -0.120081D+02  0.433246D+01
      3   0.181239D+02 -0.111748D+02  0.279455D+01 -0.130978D+02 -0.817814D+01
      4   0.155699D+01 -0.887992D+01 -0.876492D-01  0.364036D+01  0.133833D+02
      5  -0.120332D+00  0.166770D+02  0.203260D+01 -0.911828D+01 -0.669790D+00
      6  -0.641515D+01 -0.952001D+00 -0.504767D+01  0.598259D+01 -0.852604D+00
                41            42            43            44            45 
      1  -0.119158D+02 -0.593518D+01 -0.174181D+02 -0.497796D+01  0.100063D+02
      2   0.168745D+02 -0.102961D+02  0.212215D+01 -0.220721D+01 -0.194093D+01
      3  -0.495869D+01  0.162313D+02  0.152960D+02  0.718518D+01 -0.806540D+01
      4   0.692962D+01 -0.319201D+01 -0.319620D+01 -0.171117D+01 -0.600125D+01
      5  -0.209727D+01 -0.285031D+01  0.108010D+02 -0.641927D+01  0.675051D+01
      6  -0.676056D+01  0.661725D+01 -0.103337D+02  0.453442D+00  0.788539D+01
                46            47            48            49            50 
      1  -0.112465D+02  0.970656D+01 -0.260299D+02 -0.573743D+01 -0.152157D+02
      2   0.353657D+01 -0.721050D+01  0.893279D+01 -0.598534D+01  0.210231D+02
      3   0.770994D+01 -0.249606D+01  0.170971D+02  0.117228D+02 -0.580746D+01
      4   0.871999D+01 -0.230119D+00  0.484649D+01  0.542768D+01 -0.705464D+01
      5  -0.165014D+02  0.452685D+01 -0.248712D+01  0.483663D+01  0.282989D+01
      6   0.351062D+01  0.472963D+01 -0.515994D+01  0.603593D+00 -0.599462D+01
                51            52            53            54            55 
      1   0.196618D+01  0.363953D+02 -0.481849D+01  0.987590D+01 -0.372270D+02
      2  -0.105623D+02 -0.872684D+01 -0.545550D-01 -0.467868D+01  0.124250D+02
      3   0.859614D+01 -0.276685D+02  0.487305D+01 -0.519722D+01  0.248020D+02
      4   0.232448D+01 -0.437181D+01 -0.329436D-01  0.650533D+01  0.675024D+00
      5   0.625812D+01  0.585148D+01  0.657755D+01 -0.704346D+01 -0.471017D+01
      6   0.425258D+01  0.104014D+02 -0.272573D+01  0.752200D+01  0.237035D+01
                56            57            58            59            60 
      1  -0.983615D+01 -0.384096D+01 -0.365898D+02 -0.288594D+02 -0.424091D+01
      2   0.715257D+01 -0.135851D+01  0.255410D+02  0.390845D+01  0.478457D+01
      3   0.268358D+01  0.519947D+01  0.110488D+02  0.249510D+02 -0.543664D+00
      4  -0.228246D+02 -0.613265D-01 -0.489636D+02  0.238599D+02 -0.125770D+02
      5  -0.636853D+00 -0.102698D+02 -0.435483D+01 -0.131640D+02  0.178032D+01
      6   0.315641D+00  0.175885D+01 -0.932759D+00  0.454837D+01 -0.284326D+00
                61            62            63            64            65 
      1  -0.277206D+02 -0.716282D+01 -0.778925D+01 -0.467654D+02  0.138496D+02
      2   0.429895D+01  0.705287D+01  0.116226D+02  0.300334D+02 -0.274087D+01
      3   0.234217D+02  0.109953D+00 -0.383334D+01  0.167320D+02 -0.111087D+02
      4  -0.441805D+01 -0.203343D+02  0.717700D+01  0.146436D+02  0.266883D+02
      5  -0.243449D+02  0.438112D+01  0.369850D+02 -0.181249D+01  0.299575D+01
      6   0.388059D+01 -0.189919D+01 -0.626334D+01  0.537781D+00 -0.210434D+01
                66            67            68            69            70 
      1  -0.315160D+01  0.496954D+02  0.460679D+02 -0.143433D+00  0.170144D+02
      2  -0.131781D+01 -0.208865D+02 -0.250742D+02  0.207542D+01 -0.665950D+01
      3   0.446942D+01 -0.288089D+02 -0.209937D+02 -0.193199D+01 -0.103549D+02
      4   0.230701D+01  0.435262D+02 -0.112242D+02  0.154474D+02  0.621688D+01
      5   0.171527D+02  0.771659D+01  0.179709D+02  0.181020D+01  0.319723D+02
      6   0.289233D+01  0.251816D+01  0.420162D+01 -0.367898D+00  0.258949D+01
                71            72            73            74            75 
      1   0.170568D+01  0.327896D+02  0.500692D+02 -0.469098D+01 -0.665123D+01
      2   0.352458D+01 -0.819005D+01 -0.341620D+02 -0.831851D+01 -0.651020D+00
      3  -0.523026D+01 -0.245995D+02 -0.159072D+02  0.130095D+02  0.730225D+01
      4   0.192899D+02  0.410645D+01 -0.120283D+01 -0.284340D+02 -0.705029D+01
      5   0.333828D+01 -0.507329D+02 -0.626910D+01 -0.518371D+01 -0.123492D+02
      6   0.345892D+01 -0.643102D+01 -0.617734D+01 -0.236277D+01 -0.871554D+01
                76            77            78            79            80 
      1  -0.105925D+02 -0.297650D+02  0.356758D+01 -0.105227D+02  0.312043D+01
      2  -0.652867D+01  0.113166D+02 -0.118489D+02 -0.206960D+01 -0.153865D+02
      3   0.171211D+02  0.184484D+02  0.828131D+01  0.125923D+02  0.122660D+02
      4  -0.330691D+02 -0.130722D+02 -0.203194D+02 -0.823092D+01 -0.289058D+02
      5  -0.605120D+01 -0.201431D+02 -0.756692D+01 -0.197481D+02 -0.129046D+02
      6  -0.502859D+01 -0.161741D+02 -0.359383D+01 -0.104305D+02 -0.769426D+01
                81            82            83            84            85 
      1  -0.913527D+01  0.603948D+02 -0.163847D+02 -0.266426D+01 -0.277214D+02
      2   0.864930D+01 -0.324442D+02  0.735612D+01 -0.203552D-01  0.127685D+02
      3   0.485976D+00 -0.279507D+02  0.902854D+01  0.268461D+01  0.149530D+02
      4  -0.178150D+02 -0.190907D+02 -0.373121D+02 -0.574607D+01 -0.566064D+02
      5   0.380076D+02 -0.565235D+01 -0.630516D+01 -0.317721D+02 -0.101680D+02
      6   0.187113D+02 -0.165091D+01 -0.488964D+01 -0.219648D+01 -0.917912D+01
                86            87            88            89            90 
      1  -0.493774D+02 -0.590891D+01 -0.114226D+02 -0.574024D+01 -0.425269D+02
      2   0.244346D+02  0.186281D+01  0.211478D+01  0.163641D+01  0.230420D+02
      3   0.249428D+02  0.404610D+01  0.930779D+01  0.410383D+01  0.194849D+02
      4   0.189700D+02 -0.405712D+02 -0.954041D+01 -0.398546D+02 -0.406866D+01
      5  -0.437368D+02 -0.290697D+01 -0.498545D+02 -0.294293D+01  0.461225D+02
      6   0.178663D+00 -0.506676D+01 -0.341619D+01 -0.534303D+01  0.157466D+01
                91            92            93            94            95 
      1   0.739396D+01 -0.290109D+01 -0.645395D+01 -0.226006D+01 -0.173634D+02
      2  -0.560798D+01 -0.139455D+01  0.131857D+01  0.393060D+01  0.919363D+01
      3  -0.178598D+01  0.429564D+01  0.513539D+01 -0.167054D+01  0.816981D+01
      4  -0.141697D+02 -0.141164D+02 -0.420581D+01 -0.366417D+02  0.143680D+02
      5  -0.159517D+02 -0.265958D+01 -0.984378D+01 -0.113144D+02 -0.541815D+01
      6  -0.817901D-01 -0.536751D+01 -0.645636D+01 -0.152576D+01  0.163998D+01
                96            97            98            99           100 
      1  -0.702730D+01 -0.158640D+02 -0.835631D+01 -0.429490D+01  0.470897D+01
      2   0.288323D+01  0.256681D+01 -0.341243D+00  0.561352D+01 -0.115848D+01
      3   0.414407D+01  0.132972D+02  0.869755D+01 -0.131862D+01 -0.355049D+01
      4  -0.545518D+01 -0.188127D+02 -0.607600D+01 -0.219017D+02  0.103481D+02
      5  -0.191904D+02 -0.193931D+02 -0.206323D+02  0.213006D+02  0.132670D+02
      6  -0.333044D+01 -0.934794D+01 -0.540870D+01  0.759497D+01 -0.616584D+01
               101           102           103           104           105 
      1   0.292358D+01  0.523704D+01  0.144332D+02  0.644090D+01  0.106537D+01
      2  -0.518571D+00 -0.383115D+01 -0.129491D+02 -0.159558D+01  0.438920D+01
      3  -0.240501D+01 -0.140589D+01 -0.148409D+01 -0.484532D+01 -0.545457D+01
      4   0.498694D+00 -0.432855D+01 -0.149364D+01 -0.770113D+01  0.924969D+01
      5  -0.557285D+01 -0.544164D+01 -0.122552D+02  0.113435D+02  0.347494D+02
      6   0.398843D+01  0.771228D+01  0.536463D+01 -0.102097D+02 -0.188339D+02
               106           107           108           109           110 
      1   0.165452D+02 -0.131247D+01 -0.561806D+00  0.218293D+02 -0.141892D+02
      2  -0.212933D+01 -0.747164D+01  0.393198D+01 -0.130206D+02  0.632645D+01
      3  -0.144159D+02  0.878411D+01 -0.337018D+01 -0.880861D+01  0.786275D+01
      4  -0.135202D+02  0.260956D+02  0.248304D+02 -0.201608D+02  0.177430D+02
      5  -0.225503D+02  0.257166D+02  0.189444D+02 -0.299334D+02  0.931755D+01
      6   0.133783D+02 -0.221864D+02 -0.126811D+02  0.112065D+02 -0.310218D+01
               111           112           113           114           115 
      1  -0.224993D+02 -0.151903D+02 -0.636378D+01 -0.590095D+01 -0.292996D+02
      2   0.146996D+02  0.457933D+01  0.157627D+02  0.345465D+01  0.173186D+02
      3   0.779967D+01  0.106110D+02 -0.939893D+01  0.244630D+01  0.119810D+02
      4   0.120286D+02  0.286485D+02 -0.349489D+02 -0.242538D+02  0.255586D+02
      5   0.225869D+02  0.186035D+02 -0.265168D+02 -0.298447D+02  0.386850D+02
      6  -0.543104D+01 -0.820828D+01  0.234920D+02  0.262401D+02 -0.144107D+02
               116           117           118           119           120 
      1  -0.384130D+01 -0.435652D+01  0.933422D+01 -0.411398D+01  0.116848D+02
      2   0.620056D+01 -0.159126D+02 -0.764890D+01  0.826460D+01 -0.792942D+01
      3  -0.235926D+01  0.202691D+02 -0.168532D+01 -0.415062D+01 -0.375542D+01
      4  -0.340419D+02 -0.265238D+02  0.399914D+00 -0.772356D+01 -0.274382D+01
      5  -0.295408D+02 -0.688280D+02  0.106960D+02  0.114423D+01  0.768967D+01
      6   0.271663D+02  0.356446D+02 -0.350529D+01 -0.193557D+01 -0.153387D+01
               121           122           123           124           125 
      1  -0.454550D+00 -0.539805D+01  0.371899D+01  0.175288D+02  0.169332D+01
      2   0.968193D+01 -0.147573D+02 -0.765152D+00 -0.985422D+01 -0.276757D+01
      3  -0.922738D+01  0.201554D+02 -0.295384D+01 -0.767458D+01  0.107425D+01
      4  -0.166408D+02  0.442821D+02  0.695828D+00 -0.904874D+01  0.110822D+02
      5   0.116215D+01  0.653210D+00 -0.247430D+01  0.171227D+02 -0.106882D+02
      6  -0.394083D+01  0.282597D+01  0.735408D+01 -0.428955D+01  0.134162D+02
               126           127           128           129           130 
      1  -0.149199D+01 -0.750980D+00 -0.649552D-01  0.352274D+01 -0.247847D+01
      2  -0.728919D+01 -0.534031D+01 -0.120310D+01  0.563296D+01 -0.613238D+00
      3   0.878118D+01  0.609129D+01  0.126806D+01 -0.915569D+01  0.309170D+01
      4  -0.100458D+02  0.922485D+00  0.238441D+01 -0.639877D+00  0.129010D+01
      5   0.309040D+02 -0.953761D+01 -0.245987D+01  0.121660D+02 -0.277295D+01
      6  -0.166089D+02  0.333714D+00 -0.177572D+01 -0.532372D+00 -0.987284D+00
               131           132           133           134           135 
      1  -0.314227D+01  0.753348D+01  0.355751D+01  0.444470D+01 -0.234469D+02
      2  -0.492628D+00  0.311354D+01  0.678956D+01  0.201594D+01 -0.145451D+02
      3   0.363490D+01 -0.106470D+02 -0.103471D+02 -0.646064D+01  0.379920D+02
      4   0.114292D+01 -0.120907D+01 -0.168647D+01 -0.309451D+01  0.179964D+01
      5  -0.260569D+01  0.451797D+01  0.120263D+02  0.398793D+01 -0.192755D+02
      6  -0.295125D+01  0.202545D+01  0.880668D+00  0.553611D+01 -0.214460D+01
               136           137           138           139           140 
      1   0.298539D+00  0.109869D+01 -0.730525D+00  0.162131D+01 -0.181503D+01
      2  -0.482082D+01  0.381190D+00 -0.485862D+01  0.150060D+01 -0.175792D+00
      3   0.452228D+01 -0.147988D+01  0.558915D+01 -0.312191D+01  0.199082D+01
      4  -0.156167D+00  0.365898D+01 -0.976324D+00  0.213108D+01 -0.348088D+01
      5   0.114305D+02 -0.234746D+01  0.104312D+02 -0.413961D+01  0.282772D+01
      6  -0.600183D+00  0.223086D+01 -0.707095D+00  0.111949D+01 -0.307876D+01
               141           142           143           144           145 
      1   0.506571D+01 -0.253842D+01  0.395039D+01 -0.128725D+02 -0.256143D+01
      2   0.264782D+01 -0.638765D+01  0.139073D+01 -0.928565D+01 -0.260215D+01
      3  -0.771353D+01  0.892607D+01 -0.534112D+01  0.221581D+02  0.516358D+01
      4   0.126625D+01 -0.115011D+01  0.256696D+01 -0.237044D+01  0.546497D+01
      5  -0.626625D+01  0.133554D+02 -0.442541D+01  0.167332D+02 -0.901067D+01
      6   0.183965D+01 -0.152491D+01  0.468021D+01 -0.328883D+01 -0.580540D+01
               146           147           148           149           150 
      1  -0.192623D+01  0.547764D+01 -0.258357D+01 -0.453211D+01  0.825836D+01
      2   0.530976D+00  0.273400D+01 -0.427611D+00  0.117399D+01  0.441278D+00
      3   0.139526D+01 -0.821164D+01  0.301118D+01  0.335811D+01 -0.869964D+01
      4   0.374966D+01 -0.535971D+01  0.251163D+01  0.193465D+01 -0.283833D+01
      5  -0.353443D+01  0.116070D+02 -0.337110D+01 -0.268703D+01  0.415154D+01
      6  -0.367188D+01  0.637882D+01 -0.300603D+01 -0.525877D+01  0.834234D+01
               151           152           153           154           155 
      1   0.713369D+01  0.105725D+02 -0.282046D+02  0.246278D+01  0.249613D+01
      2   0.210649D+01 -0.313141D+01 -0.535883D+01 -0.338119D+01 -0.222659D+01
      3  -0.924018D+01 -0.744111D+01  0.335634D+02  0.918410D+00 -0.269545D+00
      4  -0.566123D+01 -0.524082D+01  0.784624D+01 -0.100300D+02  0.704728D+01
      5   0.107761D+02  0.518870D+01 -0.171590D+02  0.149958D+02 -0.565878D+01
      6   0.818334D+01  0.125515D+02 -0.227064D+02 -0.854155D+01  0.567924D+01
               156           157           158           159           160 
      1  -0.219784D+01  0.371534D+00 -0.359429D+01  0.537694D+01 -0.394089D+01
      2  -0.241575D+01  0.985268D+00  0.186241D+01  0.780964D-01 -0.271665D+01
      3   0.461359D+01 -0.135680D+01  0.173187D+01 -0.545504D+01  0.665754D+01
      4  -0.798055D+01  0.487919D+01 -0.493176D+01  0.538822D+01 -0.844369D+01
      5   0.139670D+02 -0.696579D+01  0.468596D+01 -0.758759D+01  0.151172D+02
      6  -0.857670D+01  0.507701D+01 -0.584430D+01  0.824821D+01 -0.100978D+02
               161           162           163           164           165 
      1   0.808717D+01 -0.158146D+02  0.819663D+01  0.347511D+00 -0.729949D+01
      2  -0.370791D+01 -0.309636D+01 -0.785433D+01 -0.650950D+00  0.634559D+01
      3  -0.437927D+01  0.189109D+02 -0.342303D+00  0.303439D+00  0.953902D+00
      4   0.711973D+01 -0.104315D+02 -0.200064D+01  0.709448D+01  0.411712D+01
      5  -0.741723D+01  0.203715D+02 -0.134965D+02  0.270464D+01  0.146681D+02
      6   0.115074D+02 -0.182966D+02  0.224102D+01 -0.133458D+01 -0.225799D+01
               166           167           168           169           170 
      1   0.798128D+01  0.214685D+01 -0.156779D+01 -0.153557D+02 -0.295182D+01
      2  -0.494778D+01 -0.784833D+00  0.124104D+01  0.135118D+02  0.541570D+00
      3  -0.303349D+01 -0.136202D+01  0.326755D+00  0.184397D+01  0.241025D+01
      4   0.764335D+01 -0.348855D+01 -0.427797D+01  0.586792D+01 -0.873415D+01
      5  -0.323546D+00 -0.450633D+01  0.746875D+00  0.220447D+02 -0.819363D+01
      6  -0.153494D+01  0.132839D+01  0.502088D+01 -0.501872D+01  0.636991D+01
               171           172           173           174           175 
      1  -0.439813D+01  0.206297D+02 -0.849170D+01  0.398814D+01 -0.149424D+02
      2  -0.133311D+02 -0.410570D+01 -0.646225D+00 -0.919827D+00 -0.215863D+01
      3   0.177293D+02 -0.165240D+02  0.913792D+01 -0.306831D+01  0.171010D+02
      4  -0.109750D+02 -0.208410D+02  0.228834D+02 -0.192429D+01  0.339784D+02
      5  -0.438019D+02  0.521431D+01 -0.739276D+00  0.498547D+01 -0.174614D+01
      6   0.116055D+02 -0.149881D+01  0.662067D-01 -0.130381D+01  0.963686D+00
               176           177           178           179           180 
      1   0.453137D+00  0.371294D+00  0.194761D+02  0.148242D+01  0.177443D+01
      2   0.200518D+02 -0.274036D+01 -0.596423D+01 -0.493861D+01 -0.278991D+00
      3  -0.205050D+02  0.236906D+01 -0.135119D+02  0.345618D+01 -0.149544D+01
      4  -0.499072D+02  0.675623D+01 -0.917632D+01  0.158438D+02 -0.874463D+01
      5   0.620897D+01 -0.610998D+01  0.921260D+01 -0.755869D+01  0.273656D+01
      6  -0.212824D+01  0.464467D+01 -0.350972D+01  0.540471D+01 -0.245334D+01
               181           182           183           184           185 
      1  -0.239383D+01 -0.255162D+01  0.118384D+02 -0.811175D+01 -0.112655D+02
      2  -0.247818D+01  0.406450D+00 -0.323227D+01  0.336826D+01  0.506146D+01
      3   0.487201D+01  0.214517D+01 -0.860610D+01  0.474349D+01  0.620402D+01
      4  -0.418463D+01 -0.428340D+01  0.178074D+00 -0.366402D+01  0.876141D+00
      5   0.728724D+01 -0.337692D+00 -0.276154D+01  0.763188D+00  0.425048D+01
      6   0.138400D+01 -0.116120D+00 -0.150969D+01 -0.426266D+00  0.317047D+00
               186           187           188           189           190 
      1  -0.253736D+00  0.205276D+02 -0.722961D+00 -0.230267D+02 -0.532845D+02
      2   0.969445D+00 -0.902932D+01  0.122664D+01 -0.868542D+01  0.305742D+02
      3  -0.715709D+00 -0.114983D+02 -0.503678D+00  0.317121D+02  0.227102D+02
      4   0.391526D+01  0.151392D+01  0.648762D+01 -0.161430D+01 -0.174957D+02
      5  -0.610718D+00  0.309476D+00 -0.162725D+00  0.490906D+02  0.251248D+01
      6   0.613215D+01 -0.252656D+00  0.366004D+01  0.678555D+01  0.220047D+01
               191           192           193           194           195 
      1   0.140989D+02  0.165822D+01  0.692490D+01 -0.101679D+02 -0.584782D+00
      2  -0.147579D+02 -0.649377D+00 -0.768198D+01  0.915382D+01  0.145104D+01
      3   0.659074D+00 -0.100884D+01  0.757073D+00  0.101405D+01 -0.866255D+00
      4  -0.467542D+01  0.217276D+01  0.869611D+00 -0.101910D+01  0.198159D+01
      5   0.115473D+01 -0.181684D+01  0.483265D-01  0.232505D+01  0.765249D+00
      6   0.425375D+00 -0.353202D+01  0.652590D+00  0.110615D+01  0.188501D+01
               196           197           198           199           200 
      1   0.321106D+01 -0.226983D+01 -0.517058D+01  0.287902D+01  0.137660D+01
      2  -0.103003D+01  0.296522D+01  0.200790D+01 -0.216775D+01  0.177858D+01
      3  -0.218103D+01 -0.695385D+00  0.316268D+01 -0.711268D+00 -0.315518D+01
      4   0.119509D+01  0.371696D+01  0.161228D+01  0.555367D+01  0.936060D+01
      5   0.104381D+01  0.264208D+01 -0.307414D+01 -0.100817D+02 -0.352896D+01
      6  -0.214429D+01  0.335996D+01 -0.104438D+01 -0.387575D+01 -0.202806D+01
               201           202           203           204           205 
      1  -0.670365D+01 -0.874850D+00 -0.987316D-01  0.242151D+01 -0.114701D+02
      2   0.522695D+01  0.238989D+01  0.151088D+01 -0.255884D+01  0.799126D+01
      3   0.147670D+01 -0.151504D+01 -0.141215D+01  0.137333D+00  0.347889D+01
      4  -0.552943D+01  0.598694D+01  0.603100D+01 -0.495040D+01 -0.899165D+01
      5   0.137899D+02 -0.655464D+00 -0.522542D+01  0.325522D+01  0.156612D+02
      6   0.529885D+01 -0.150428D+01 -0.307024D+01  0.725626D+01  0.711673D+01
               206           207           208           209           210 
      1   0.549569D+01 -0.631704D+01  0.130136D+02  0.861872D+01  0.530826D+01
      2  -0.563108D+01 -0.854259D+01  0.207644D+01  0.810869D+01 -0.683703D-01
      3   0.135392D+00  0.148596D+02 -0.150900D+02 -0.167274D+02 -0.523989D+01
      4  -0.138726D+02  0.160830D+02  0.255788D+02  0.327298D+02  0.803863D+01
      5   0.137942D+02 -0.487803D+02  0.770964D+01  0.562046D+01  0.875403D+01
      6   0.122557D+02 -0.276370D+02  0.492740D+01  0.440395D+01  0.599587D+01
               211           212           213           214           215 
      1   0.885829D+01 -0.293118D+01 -0.116771D+01  0.955163D+01 -0.248808D+01
      2   0.810230D+01  0.311105D+02  0.778528D+01 -0.435025D+00  0.127595D+02
      3  -0.169606D+02 -0.281793D+02 -0.661758D+01 -0.911660D+01 -0.102714D+02
      4   0.326499D+02  0.552500D+02  0.149427D+02  0.154719D+02  0.267620D+02
      5   0.635216D+01  0.134920D+02  0.104631D+02  0.108761D+02  0.133064D+02
      6   0.534915D+01  0.120831D+02  0.983375D+01  0.724876D+01  0.119039D+02
               216           217           218           219           220 
      1   0.122354D+01  0.248016D+02  0.102755D+01 -0.195163D+02  0.316999D+01
      2   0.239821D+01 -0.144777D+02 -0.343758D+00  0.110675D+02 -0.129714D+01
      3  -0.362176D+01 -0.103239D+02 -0.683795D+00  0.844880D+01 -0.187285D+01
      4   0.152125D+02  0.191101D+01  0.827214D+01  0.297837D+00  0.139022D+02
      5   0.900247D+01 -0.203957D+02  0.760796D+00  0.229880D+02  0.293303D+00
      6   0.804706D+01 -0.449316D+00  0.241266D+00  0.511646D+00 -0.829862D+00
               221           222           223           224           225 
      1   0.964487D+01  0.712533D+00 -0.497290D+02  0.188967D+01  0.287848D+02
      2  -0.482659D+01 -0.654405D+00  0.288723D+02 -0.158617D+01 -0.228698D+02
      3  -0.481828D+01 -0.581283D-01  0.208567D+02 -0.303491D+00 -0.591503D+01
      4  -0.152540D+01 -0.462367D+01  0.145572D-01 -0.111908D+02  0.571459D+00
      5  -0.435329D+01  0.796967D+00  0.416379D+02 -0.427272D+00 -0.677500D+02
      6  -0.503527D+00  0.394172D+01  0.167124D+01  0.398954D+01 -0.228752D+01
               226           227           228           229           230 
      1   0.234285D+02 -0.194205D+02  0.995358D+01 -0.430670D+02  0.283242D+02
      2  -0.113943D+02  0.934438D+01 -0.537510D+01  0.212203D+02 -0.931220D+01
      3  -0.120342D+02  0.100762D+02 -0.457848D+01  0.218466D+02 -0.190120D+02
      4  -0.199734D+02  0.223656D+02 -0.657336D+01  0.390178D+02 -0.612182D+02
      5   0.116744D+02 -0.742323D+01  0.115127D+02 -0.144998D+02  0.232464D+02
      6  -0.245946D+01  0.196777D+01 -0.923460D+00  0.431856D+01 -0.725072D+01
               231           232           233           234           235 
      1  -0.865761D+01  0.209030D+02 -0.742675D+01  0.130458D+02  0.535621D+02
      2   0.546744D+01 -0.117432D+02  0.476302D+01 -0.942873D+01 -0.257663D+02
      3   0.319017D+01 -0.915983D+01  0.266373D+01 -0.361711D+01 -0.277958D+02
      4   0.217176D+02 -0.111775D+02  0.238500D+02 -0.139485D+02  0.316112D+02
      5  -0.193510D+02  0.203973D+02 -0.152033D+02  0.137707D+02  0.231648D+02
      6   0.571938D+01 -0.220993D+01  0.596699D+01 -0.415299D+01  0.512677D+01
               236           237           238           239           240 
      1   0.260906D+02  0.181117D+02  0.546454D+02  0.279003D+02  0.127124D+02
      2  -0.115610D+02 -0.967743D+01 -0.243942D+02 -0.774948D+01 -0.642375D+01
      3  -0.145296D+02 -0.843425D+01 -0.302511D+02 -0.201509D+02 -0.628865D+01
      4   0.267460D+02  0.115077D+02  0.438128D+02  0.420459D+02  0.209546D+02
      5   0.119656D+02  0.194935D+02  0.212210D+02  0.215910D+02  0.203868D+02
      6   0.329581D+01  0.294398D+01  0.672611D+01  0.734653D+01  0.651924D+01
               241           242           243           244           245 
      1   0.348029D+02  0.109928D+02  0.195517D+02  0.188284D+01  0.372141D+01
      2  -0.187244D+02 -0.523460D+01 -0.128273D+02 -0.330997D+01 -0.189288D+01
      3  -0.160785D+02 -0.575817D+01 -0.672444D+01  0.142712D+01 -0.182853D+01
      4   0.183368D+02  0.233500D+02  0.155977D+02  0.630703D+01  0.685269D+01
      5   0.308484D+02  0.160743D+02  0.202768D+02 -0.105456D+02 -0.257250D+01
      6   0.559426D+01  0.657835D+01  0.587620D+01 -0.438676D+01 -0.616741D+00
               246           247           248           249           250 
      1  -0.603014D+01  0.436334D+01  0.781894D-01  0.208224D+01 -0.847590D+01
      2   0.434105D+01 -0.181443D+01  0.106237D+01 -0.139027D+01  0.744559D+01
      3   0.168908D+01 -0.254891D+01 -0.114056D+01 -0.691963D+00  0.103030D+01
      4  -0.346153D+01  0.104018D+02  0.715859D+01 -0.762410D+01 -0.614939D+01
      5   0.113335D+02 -0.364909D+01 -0.781328D+01  0.106984D+02  0.158751D+02
      6   0.249425D+01 -0.213263D+01 -0.600803D+01  0.781257D+01  0.413208D+01
               251           252           253           254           255 
      1   0.234997D+01 -0.435724D+01 -0.799098D+02 -0.795196D+01  0.648908D+01
      2   0.431667D+00 -0.886917D+01  0.395939D+02  0.120126D+02 -0.474722D+01
      3  -0.278164D+01  0.132264D+02  0.403159D+02 -0.406064D+01 -0.174186D+01
      4  -0.110168D+02  0.108635D+02 -0.123097D+02  0.234967D+02  0.996017D+01
      5   0.963335D+01 -0.346642D+02  0.972247D+01  0.713931D+01  0.133506D+02
      6   0.767837D+01 -0.127897D+02  0.777619D+01  0.590641D+01  0.495959D+01
               256           257           258           259           260 
      1   0.106851D+02  0.342291D+02  0.276934D+01  0.266823D+02  0.346337D+01
      2  -0.134901D+01 -0.370993D+02 -0.686477D+01 -0.114597D+02 -0.320409D+01
      3  -0.933614D+01  0.287020D+01  0.409543D+01 -0.152226D+02 -0.259287D+00
      4   0.265954D+02 -0.249379D+02  0.518969D+01  0.200849D+02  0.145321D+02
      5   0.116921D+02  0.787703D+01  0.179412D+02  0.194739D+02  0.197698D+02
      6   0.646459D+01 -0.383803D+01  0.595843D+01  0.847404D+01  0.822701D+01
               261           262           263           264           265 
      1   0.145330D+02  0.819109D+01 -0.908817D+01  0.266395D+01 -0.823005D+01
      2   0.610132D+01  0.130401D+01 -0.102511D+01 -0.141835D+00 -0.748170D+01
      3  -0.206343D+02 -0.949509D+01  0.101133D+02 -0.252211D+01  0.157117D+02
      4   0.229363D+02 -0.155943D+02  0.188162D+02 -0.421672D+01  0.297099D+02
      5  -0.179638D+02  0.543981D+01 -0.453883D+01  0.392420D+01 -0.788741D+01
      6  -0.266201D+01 -0.325728D+01  0.317228D+01 -0.159060D+01  0.587313D+01
               266           267           268           269           270 
      1  -0.247919D+01 -0.385340D-01  0.107013D+00  0.124920D+01 -0.452381D+00
      2   0.308517D+02 -0.498079D+01 -0.201243D+01  0.334732D+01  0.131082D+01
      3  -0.283725D+02  0.501933D+01  0.190541D+01 -0.459652D+01 -0.858442D+00
      4  -0.615141D+02  0.128238D+02  0.227474D+01 -0.420404D+01 -0.421886D+01
      5   0.137700D+02 -0.110977D+02  0.309892D+01 -0.425885D+01  0.478924D+01
      6  -0.134491D+02  0.758923D+01 -0.175155D+01  0.435047D+01 -0.288273D+01
               271           272           273           274           275 
      1   0.547451D+01 -0.111747D+00  0.540132D+01 -0.695077D+01 -0.569049D+01
      2  -0.524802D+01 -0.109195D+01 -0.195731D+01  0.351323D+01  0.249955D+01
      3  -0.226490D+00  0.120369D+01 -0.344401D+01  0.343754D+01  0.319094D+01
      4  -0.125563D+01 -0.351356D+01 -0.427484D+00 -0.344661D+01 -0.232659D+01
      5   0.283629D+01 -0.171800D+01 -0.273900D+00 -0.477574D+01  0.347378D+01
      6  -0.480683D+00 -0.168322D+01 -0.129856D+01 -0.105968D+01 -0.374825D+00
               276           277           278           279           280 
      1  -0.384559D+00  0.108065D+02 -0.144025D+00 -0.115084D+02  0.126144D+03
      2   0.499015D+01 -0.720964D+01  0.445024D+01 -0.155905D+02 -0.596400D+02
      3  -0.460559D+01 -0.359690D+01 -0.430621D+01  0.270989D+02 -0.665038D+02
      4   0.373303D+01  0.463862D+01  0.932183D+01 -0.338352D+01  0.422572D+02
      5  -0.988394D+01  0.104776D+02 -0.246851D+01  0.432378D+02  0.110155D+02
      6   0.765081D+00  0.174997D+01  0.393580D+01  0.124102D+02 -0.445078D-01
               281           282           283           284           285 
      1   0.110327D+02 -0.490797D+00 -0.392725D+01  0.702260D+01 -0.207095D+00
      2  -0.165571D+01 -0.729319D+00  0.480190D+01 -0.192619D+00  0.588257D+00
      3  -0.937699D+01  0.122012D+01 -0.874654D+00 -0.682998D+01 -0.381162D+00
      4   0.186193D+02  0.133577D+01  0.128815D+02  0.646814D+01 -0.100997D+01
      5   0.194560D+01  0.132583D+02 -0.106758D+01 -0.648710D+00 -0.215816D+01
      6   0.184395D+01  0.373334D+01  0.517515D+00  0.526017D+00  0.192284D+00
               286           287           288           289           290 
      1  -0.154389D+02 -0.171464D+01  0.870507D+01  0.594690D+00  0.135996D+02
      2   0.606666D+01 -0.683560D-01 -0.639660D+01  0.286991D+01 -0.138270D+02
      3   0.937225D+01  0.178300D+01 -0.230847D+01 -0.346460D+01  0.227415D+00
      4  -0.688513D+01 -0.470405D+01  0.123870D+01  0.380670D+01 -0.669520D+01
      5   0.117126D+02 -0.563554D+00 -0.565064D+00 -0.179409D+01 -0.640168D+00
      6   0.309143D+01  0.546426D+00 -0.580682D+00 -0.453606D-01 -0.289210D+01
               291           292           293           294           295 
      1   0.377339D+00  0.118532D+02 -0.319331D+02 -0.314603D+01 -0.395019D+01
      2  -0.320278D+00 -0.452450D+01  0.527315D+02  0.321983D+01  0.113366D+01
      3  -0.570601D-01 -0.732867D+01 -0.207984D+02 -0.738048D-01  0.281653D+01
      4  -0.224515D+01  0.108427D+02  0.577550D+02  0.623478D+01 -0.324313D+01
      5  -0.286491D+01  0.298204D+01  0.369402D+01  0.714845D+01 -0.501585D+00
      6  -0.251136D+01  0.572059D+00  0.117879D+02  0.776912D+01 -0.534016D+00
               296           297 
      1  -0.112434D+01 -0.581462D+01
      2  -0.142340D+01  0.410114D+01
      3   0.254775D+01  0.171347D+01
      4  -0.384195D+01  0.331610D+01
      5   0.423761D+01  0.210338D+01
      6   0.643104D+01  0.123651D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:18:29 2021, MaxMem=  6442450944 cpu:           48130.5 elap:            6025.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31944 -19.26029 -10.44042 -10.32638 -10.31543
 Alpha  occ. eigenvalues --  -10.30917 -10.30386 -10.30335 -10.30284 -10.30130
 Alpha  occ. eigenvalues --  -10.30129 -10.30079 -10.29751 -10.28629 -10.28216
 Alpha  occ. eigenvalues --   -1.20946  -1.11574  -0.96768  -0.92132  -0.89584
 Alpha  occ. eigenvalues --   -0.84399  -0.84104  -0.77812  -0.77548  -0.75940
 Alpha  occ. eigenvalues --   -0.71621  -0.69737  -0.67263  -0.65088  -0.60879
 Alpha  occ. eigenvalues --   -0.58767  -0.57362  -0.56947  -0.55390  -0.54289
 Alpha  occ. eigenvalues --   -0.53457  -0.52993  -0.52150  -0.50925  -0.50747
 Alpha  occ. eigenvalues --   -0.49471  -0.47873  -0.47115  -0.46930  -0.45897
 Alpha  occ. eigenvalues --   -0.45221  -0.44703  -0.43337  -0.42176  -0.41768
 Alpha  occ. eigenvalues --   -0.41602  -0.40728  -0.40394  -0.37175  -0.33588
 Alpha  occ. eigenvalues --   -0.31815
 Alpha virt. eigenvalues --    0.04318   0.05091   0.07347   0.08365   0.08946
 Alpha virt. eigenvalues --    0.10133   0.10607   0.11262   0.11777   0.12261
 Alpha virt. eigenvalues --    0.13323   0.13939   0.14380   0.15495   0.15747
 Alpha virt. eigenvalues --    0.16311   0.16673   0.17262   0.18135   0.18633
 Alpha virt. eigenvalues --    0.19063   0.19720   0.19836   0.20141   0.20811
 Alpha virt. eigenvalues --    0.21463   0.21637   0.21841   0.22286   0.22611
 Alpha virt. eigenvalues --    0.22886   0.23295   0.23966   0.24680   0.25041
 Alpha virt. eigenvalues --    0.25621   0.25754   0.26356   0.27359   0.27763
 Alpha virt. eigenvalues --    0.28612   0.28823   0.29659   0.29917   0.30167
 Alpha virt. eigenvalues --    0.30543   0.31279   0.31475   0.31674   0.32252
 Alpha virt. eigenvalues --    0.32589   0.33332   0.34377   0.34666   0.35426
 Alpha virt. eigenvalues --    0.35677   0.36102   0.36391   0.37208   0.37303
 Alpha virt. eigenvalues --    0.37658   0.37938   0.38588   0.38951   0.38998
 Alpha virt. eigenvalues --    0.39440   0.39583   0.40317   0.40654   0.40937
 Alpha virt. eigenvalues --    0.41281   0.41341   0.41651   0.42241   0.42524
 Alpha virt. eigenvalues --    0.42965   0.43632   0.43759   0.44098   0.44199
 Alpha virt. eigenvalues --    0.44410   0.44899   0.45305   0.45760   0.45962
 Alpha virt. eigenvalues --    0.46139   0.46482   0.46753   0.46993   0.47394
 Alpha virt. eigenvalues --    0.47780   0.47932   0.48060   0.48589   0.49506
 Alpha virt. eigenvalues --    0.49653   0.50503   0.50746   0.50849   0.51189
 Alpha virt. eigenvalues --    0.51921   0.52026   0.52564   0.52712   0.52825
 Alpha virt. eigenvalues --    0.53576   0.53666   0.54171   0.54374   0.55069
 Alpha virt. eigenvalues --    0.55344   0.55493   0.56221   0.56567   0.56973
 Alpha virt. eigenvalues --    0.57442   0.58043   0.58557   0.58604   0.59157
 Alpha virt. eigenvalues --    0.59448   0.59691   0.60261   0.60706   0.61384
 Alpha virt. eigenvalues --    0.61481   0.62216   0.62505   0.62654   0.62932
 Alpha virt. eigenvalues --    0.63532   0.64276   0.65309   0.65497   0.65813
 Alpha virt. eigenvalues --    0.66268   0.66757   0.66999   0.67094   0.67585
 Alpha virt. eigenvalues --    0.68199   0.69063   0.69407   0.69770   0.70203
 Alpha virt. eigenvalues --    0.70497   0.71532   0.72168   0.72532   0.72967
 Alpha virt. eigenvalues --    0.73546   0.74002   0.74630   0.75136   0.76427
 Alpha virt. eigenvalues --    0.76622   0.77114   0.77454   0.77888   0.78524
 Alpha virt. eigenvalues --    0.78688   0.79078   0.79529   0.80104   0.80648
 Alpha virt. eigenvalues --    0.81044   0.82409   0.82698   0.83734   0.84316
 Alpha virt. eigenvalues --    0.85756   0.86110   0.86297   0.87360   0.87669
 Alpha virt. eigenvalues --    0.88039   0.89290   0.90201   0.91344   0.92031
 Alpha virt. eigenvalues --    0.92657   0.93616   0.94861   0.95783   0.96550
 Alpha virt. eigenvalues --    0.97166   0.98471   0.99566   1.00487   1.01492
 Alpha virt. eigenvalues --    1.01658   1.02541   1.03984   1.05058   1.05229
 Alpha virt. eigenvalues --    1.05716   1.07559   1.08272   1.08557   1.09555
 Alpha virt. eigenvalues --    1.10225   1.10839   1.11334   1.11975   1.12312
 Alpha virt. eigenvalues --    1.13239   1.13633   1.15230   1.15682   1.15948
 Alpha virt. eigenvalues --    1.16614   1.17552   1.18083   1.19533   1.20763
 Alpha virt. eigenvalues --    1.22336   1.23433   1.24408   1.25097   1.26004
 Alpha virt. eigenvalues --    1.27000   1.27828   1.28474   1.28874   1.30161
 Alpha virt. eigenvalues --    1.32468   1.33792   1.34054   1.35488   1.35758
 Alpha virt. eigenvalues --    1.36500   1.37629   1.38706   1.39244   1.40768
 Alpha virt. eigenvalues --    1.41021   1.42132   1.43296   1.44637   1.45031
 Alpha virt. eigenvalues --    1.46375   1.47638   1.49769   1.50240   1.51261
 Alpha virt. eigenvalues --    1.52564   1.52959   1.54564   1.55477   1.56143
 Alpha virt. eigenvalues --    1.59053   1.59574   1.61048   1.62594   1.63456
 Alpha virt. eigenvalues --    1.65780   1.68058   1.68690   1.69575   1.71113
 Alpha virt. eigenvalues --    1.72693   1.73637   1.74736   1.75627   1.76579
 Alpha virt. eigenvalues --    1.77657   1.79213   1.80938   1.82213   1.83559
 Alpha virt. eigenvalues --    1.84015   1.84375   1.85322   1.86537   1.87294
 Alpha virt. eigenvalues --    1.88502   1.89530   1.90684   1.91750   1.92542
 Alpha virt. eigenvalues --    1.93659   1.94583   1.96660   1.97026   1.97873
 Alpha virt. eigenvalues --    1.98512   1.98877   1.99987   2.00555   2.01361
 Alpha virt. eigenvalues --    2.02771   2.04295   2.05784   2.06099   2.06769
 Alpha virt. eigenvalues --    2.07930   2.09433   2.09980   2.10254   2.11220
 Alpha virt. eigenvalues --    2.12401   2.13708   2.14047   2.15051   2.16883
 Alpha virt. eigenvalues --    2.17298   2.18073   2.18604   2.20116   2.21892
 Alpha virt. eigenvalues --    2.22377   2.23031   2.24583   2.25411   2.26656
 Alpha virt. eigenvalues --    2.27320   2.28115   2.28966   2.29863   2.31149
 Alpha virt. eigenvalues --    2.31990   2.33711   2.34083   2.35340   2.36453
 Alpha virt. eigenvalues --    2.37763   2.39487   2.40650   2.41586   2.44036
 Alpha virt. eigenvalues --    2.45233   2.46781   2.49112   2.50642   2.51604
 Alpha virt. eigenvalues --    2.51922   2.52785   2.53861   2.56478   2.57604
 Alpha virt. eigenvalues --    2.58515   2.60203   2.63169   2.65544   2.66354
 Alpha virt. eigenvalues --    2.67450   2.69059   2.69607   2.70777   2.72744
 Alpha virt. eigenvalues --    2.73700   2.75245   2.76092   2.78062   2.78212
 Alpha virt. eigenvalues --    2.79918   2.80583   2.81931   2.82769   2.90471
 Alpha virt. eigenvalues --    2.93125   2.94907   2.95652   2.97960   3.02283
 Alpha virt. eigenvalues --    3.02647   3.03056   3.03900   3.08391   3.10340
 Alpha virt. eigenvalues --    3.10589   3.12665   3.13890   3.14845   3.16340
 Alpha virt. eigenvalues --    3.17137   3.19277   3.21260   3.22306   3.24095
 Alpha virt. eigenvalues --    3.25507   3.27196   3.27981   3.30451   3.31849
 Alpha virt. eigenvalues --    3.33250   3.35609   3.36124   3.46173   3.47924
 Alpha virt. eigenvalues --    3.70673   3.76142   3.92330   4.04842
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.704717  -0.971829  -1.209050   0.578247   0.204878  -0.127183
     2  C   -0.971829  12.393792   0.639777  -0.874896   0.792250  -1.773141
     3  C   -1.209050   0.639777   8.826076  -1.417130  -0.180755   0.191692
     4  C    0.578247  -0.874896  -1.417130  11.883905  -1.258574   1.058909
     5  C    0.204878   0.792250  -0.180755  -1.258574   9.371377  -1.586766
     6  C   -0.127183  -1.773141   0.191692   1.058909  -1.586766   9.338505
     7  C   -0.923037   0.205050  -0.018143   0.134848   0.045451  -0.928670
     8  C   -0.009599   0.017040  -0.005216   0.000339   0.006202  -0.021115
     9  C    0.031245  -0.055310  -0.007557  -0.003179   0.003085  -0.007342
    10  C   -0.009497  -0.015354   0.000258  -0.000053  -0.000972  -0.000674
    11  C    0.020956   0.111222  -0.826672   0.261106  -0.956286   0.071719
    12  C   -0.023084   0.007539  -0.023448  -0.013835  -0.049395  -0.010858
    13  O    0.000887  -0.001940  -0.031516   0.027453  -0.036830   0.005444
    14  O    0.031425   0.002747  -0.106882   0.026140  -0.021975   0.005445
    15  H    0.346917  -1.405777  -0.620573  -0.019601   0.125538   0.122965
    16  H   -0.514522  -0.088676   0.549963  -1.345650   0.060906   0.118701
    17  H    0.159724  -0.010399   0.106579  -1.460351   0.597075  -0.660147
    18  H    0.043768  -1.356195   0.153697  -0.001725  -0.757143   0.630056
    19  H   -0.082427  -0.178637   0.030415   0.006302   0.007107   0.086824
    20  H    0.110994  -0.057653  -0.001986  -0.009148  -0.009370   0.028486
    21  H   -0.040604  -0.002840   0.000914  -0.000151   0.010281  -0.114204
    22  H    0.013287   0.013705  -0.004096  -0.003445   0.002092   0.025373
    23  H    0.004997  -0.025449   0.000495   0.000152  -0.000285  -0.000736
    24  H   -0.012041   0.011049   0.001714   0.000338   0.000155  -0.008693
    25  H    0.001083   0.002843  -0.000170  -0.000016   0.000107  -0.002876
    26  H   -0.002322   0.001604   0.000071  -0.000028  -0.000135   0.000372
    27  H    0.001376   0.004784  -0.000020  -0.000008  -0.000058   0.001611
    28  H    0.014051  -0.004299   0.102221  -0.243620  -0.092078   0.015945
    29  C   -0.007946   0.003891  -0.033948  -0.089735  -0.003464   0.001704
    30  H   -0.002392  -0.000062   0.010408  -0.016237   0.002747  -0.000263
    31  H    0.006406   0.001287  -0.014315   0.004355  -0.006111   0.000286
    32  H   -0.001189  -0.000122  -0.002979  -0.000129  -0.013035   0.000072
    33  H    0.001676   0.002306  -0.017959  -0.037544   0.023996  -0.001855
               7          8          9         10         11         12
     1  C   -0.923037  -0.009599   0.031245  -0.009497   0.020956  -0.023084
     2  C    0.205050   0.017040  -0.055310  -0.015354   0.111222   0.007539
     3  C   -0.018143  -0.005216  -0.007557   0.000258  -0.826672  -0.023448
     4  C    0.134848   0.000339  -0.003179  -0.000053   0.261106  -0.013835
     5  C    0.045451   0.006202   0.003085  -0.000972  -0.956286  -0.049395
     6  C   -0.928670  -0.021115  -0.007342  -0.000674   0.071719  -0.010858
     7  C    6.917506   0.217671  -0.052839  -0.012893  -0.001753  -0.000185
     8  C    0.217671   5.975157   0.434393   0.331613  -0.001057  -0.000004
     9  C   -0.052839   0.434393   4.149680  -0.040012   0.000119   0.000014
    10  C   -0.012893   0.331613  -0.040012   4.312609   0.000011   0.000001
    11  C   -0.001753  -0.001057   0.000119   0.000011   7.368077   0.337453
    12  C   -0.000185  -0.000004   0.000014   0.000001   0.337453   4.812201
    13  O    0.000028   0.000004  -0.000035  -0.000000  -0.033956   0.183477
    14  O   -0.000125  -0.000002   0.000005  -0.000000  -0.105330   0.049274
    15  H   -0.350122  -0.006324   0.031015  -0.003843  -0.002236  -0.002085
    16  H    0.009810   0.000084  -0.001700   0.000035  -0.295025  -0.001924
    17  H    0.008611   0.002653  -0.000492  -0.000087  -0.433034  -0.036359
    18  H   -0.422971  -0.002204   0.000838   0.005033   0.023354   0.000205
    19  H    0.120890   0.020694  -0.015186   0.016708   0.000108  -0.000019
    20  H    0.029482   0.051595   0.011276  -0.083786  -0.000102  -0.000017
    21  H    0.111208   0.130711   0.014624  -0.050718  -0.000066  -0.000014
    22  H   -0.112972   0.121000   0.240950   0.006801  -0.000199   0.000140
    23  H   -0.029534   0.109986   0.202585  -0.006496   0.000043  -0.000008
    24  H    0.045936   0.109288   0.196695  -0.010981   0.000013  -0.000001
    25  H    0.001426   0.167224  -0.007735   0.121274  -0.000000   0.000000
    26  H   -0.006217  -0.023122   0.005135   0.395184   0.000001  -0.000000
    27  H    0.007200   0.130649  -0.014944   0.205950  -0.000000   0.000000
    28  H    0.000076  -0.000073   0.000001   0.000000   0.116765  -0.069016
    29  C   -0.000163   0.000026  -0.000007  -0.000000   0.392344   0.038233
    30  H   -0.000003   0.000003   0.000002  -0.000000   0.026260   0.090359
    31  H   -0.000025  -0.000004  -0.000000   0.000000   0.098158  -0.018084
    32  H   -0.000000  -0.000000   0.000000   0.000000   0.161258  -0.002529
    33  H   -0.000018   0.000004  -0.000000  -0.000000   0.140068   0.015722
              13         14         15         16         17         18
     1  C    0.000887   0.031425   0.346917  -0.514522   0.159724   0.043768
     2  C   -0.001940   0.002747  -1.405777  -0.088676  -0.010399  -1.356195
     3  C   -0.031516  -0.106882  -0.620573   0.549963   0.106579   0.153697
     4  C    0.027453   0.026140  -0.019601  -1.345650  -1.460351  -0.001725
     5  C   -0.036830  -0.021975   0.125538   0.060906   0.597075  -0.757143
     6  C    0.005444   0.005445   0.122965   0.118701  -0.660147   0.630056
     7  C    0.000028  -0.000125  -0.350122   0.009810   0.008611  -0.422971
     8  C    0.000004  -0.000002  -0.006324   0.000084   0.002653  -0.002204
     9  C   -0.000035   0.000005   0.031015  -0.001700  -0.000492   0.000838
    10  C   -0.000000  -0.000000  -0.003843   0.000035  -0.000087   0.005033
    11  C   -0.033956  -0.105330  -0.002236  -0.295025  -0.433034   0.023354
    12  C    0.183477   0.049274  -0.002085  -0.001924  -0.036359   0.000205
    13  O    8.474217  -0.022246   0.000592  -0.007132  -0.012804   0.000380
    14  O   -0.022246   8.321607   0.006277  -0.017632  -0.004052   0.000324
    15  H    0.000592   0.006277   3.011357  -0.731463  -0.021363   0.058163
    16  H   -0.007132  -0.017632  -0.731463   2.797072   0.049493  -0.017637
    17  H   -0.012804  -0.004052  -0.021363   0.049493   2.939648  -0.800476
    18  H    0.000380   0.000324   0.058163  -0.017637  -0.800476   3.045928
    19  H    0.000003  -0.000008  -0.029926   0.001957  -0.000324   0.024367
    20  H    0.000004   0.000000   0.017988  -0.000292  -0.002951   0.025996
    21  H    0.000002  -0.000006  -0.011346   0.000496   0.001709  -0.085566
    22  H   -0.000029   0.000100   0.009287  -0.000007  -0.000084   0.005822
    23  H   -0.000001   0.000009  -0.005946   0.000149  -0.000006   0.000140
    24  H   -0.000001  -0.000007  -0.005172   0.000110   0.000043  -0.001260
    25  H   -0.000000   0.000000   0.000112   0.000001   0.000003  -0.000825
    26  H   -0.000000   0.000000  -0.000220  -0.000000  -0.000004   0.001287
    27  H   -0.000000   0.000000   0.000259  -0.000002  -0.000005   0.000894
    28  H   -0.048244  -0.000591  -0.000152   0.012714   0.004547  -0.001786
    29  C    0.004348   0.010419   0.001037   0.012088  -0.029519   0.001178
    30  H   -0.065469   0.173121  -0.000258   0.003527   0.000253  -0.000004
    31  H   -0.000197   0.030326   0.001819  -0.009651  -0.001812   0.000108
    32  H    0.001440  -0.013767  -0.000057  -0.000399  -0.003497   0.000022
    33  H   -0.003405   0.004968   0.000813  -0.015750   0.008227  -0.000330
              19         20         21         22         23         24
     1  C   -0.082427   0.110994  -0.040604   0.013287   0.004997  -0.012041
     2  C   -0.178637  -0.057653  -0.002840   0.013705  -0.025449   0.011049
     3  C    0.030415  -0.001986   0.000914  -0.004096   0.000495   0.001714
     4  C    0.006302  -0.009148  -0.000151  -0.003445   0.000152   0.000338
     5  C    0.007107  -0.009370   0.010281   0.002092  -0.000285   0.000155
     6  C    0.086824   0.028486  -0.114204   0.025373  -0.000736  -0.008693
     7  C    0.120890   0.029482   0.111208  -0.112972  -0.029534   0.045936
     8  C    0.020694   0.051595   0.130711   0.121000   0.109986   0.109288
     9  C   -0.015186   0.011276   0.014624   0.240950   0.202585   0.196695
    10  C    0.016708  -0.083786  -0.050718   0.006801  -0.006496  -0.010981
    11  C    0.000108  -0.000102  -0.000066  -0.000199   0.000043   0.000013
    12  C   -0.000019  -0.000017  -0.000014   0.000140  -0.000008  -0.000001
    13  O    0.000003   0.000004   0.000002  -0.000029  -0.000001  -0.000001
    14  O   -0.000008   0.000000  -0.000006   0.000100   0.000009  -0.000007
    15  H   -0.029926   0.017988  -0.011346   0.009287  -0.005946  -0.005172
    16  H    0.001957  -0.000292   0.000496  -0.000007   0.000149   0.000110
    17  H   -0.000324  -0.002951   0.001709  -0.000084  -0.000006   0.000043
    18  H    0.024367   0.025996  -0.085566   0.005822   0.000140  -0.001260
    19  H    1.069170  -0.273333  -0.034661  -0.001042   0.038598  -0.001449
    20  H   -0.273333   1.010600   0.083284  -0.002165  -0.008262  -0.002175
    21  H   -0.034661   0.083284   1.215503  -0.038054  -0.014960   0.052467
    22  H   -0.001042  -0.002165  -0.038054   0.796927   0.007242  -0.102285
    23  H    0.038598  -0.008262  -0.014960   0.007242   0.649206  -0.049940
    24  H   -0.001449  -0.002175   0.052467  -0.102285  -0.049940   0.860550
    25  H   -0.036794   0.008199  -0.001898  -0.000377   0.011244  -0.017330
    26  H    0.002115  -0.026757  -0.010156  -0.002417  -0.002129   0.007529
    27  H    0.001325   0.008648   0.025381   0.002989  -0.009806   0.009839
    28  H    0.000008  -0.000004  -0.000001  -0.000009   0.000000  -0.000000
    29  C   -0.000021   0.000015  -0.000001   0.000013  -0.000002  -0.000000
    30  H   -0.000000   0.000000   0.000000   0.000003   0.000000   0.000000
    31  H   -0.000003   0.000001  -0.000000  -0.000000  -0.000000  -0.000000
    32  H   -0.000000   0.000000   0.000000   0.000000  -0.000000   0.000000
    33  H   -0.000003  -0.000001  -0.000000   0.000001  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.001083  -0.002322   0.001376   0.014051  -0.007946  -0.002392
     2  C    0.002843   0.001604   0.004784  -0.004299   0.003891  -0.000062
     3  C   -0.000170   0.000071  -0.000020   0.102221  -0.033948   0.010408
     4  C   -0.000016  -0.000028  -0.000008  -0.243620  -0.089735  -0.016237
     5  C    0.000107  -0.000135  -0.000058  -0.092078  -0.003464   0.002747
     6  C   -0.002876   0.000372   0.001611   0.015945   0.001704  -0.000263
     7  C    0.001426  -0.006217   0.007200   0.000076  -0.000163  -0.000003
     8  C    0.167224  -0.023122   0.130649  -0.000073   0.000026   0.000003
     9  C   -0.007735   0.005135  -0.014944   0.000001  -0.000007   0.000002
    10  C    0.121274   0.395184   0.205950   0.000000  -0.000000  -0.000000
    11  C   -0.000000   0.000001  -0.000000   0.116765   0.392344   0.026260
    12  C    0.000000  -0.000000   0.000000  -0.069016   0.038233   0.090359
    13  O   -0.000000  -0.000000  -0.000000  -0.048244   0.004348  -0.065469
    14  O    0.000000   0.000000   0.000000  -0.000591   0.010419   0.173121
    15  H    0.000112  -0.000220   0.000259  -0.000152   0.001037  -0.000258
    16  H    0.000001  -0.000000  -0.000002   0.012714   0.012088   0.003527
    17  H    0.000003  -0.000004  -0.000005   0.004547  -0.029519   0.000253
    18  H   -0.000825   0.001287   0.000894  -0.001786   0.001178  -0.000004
    19  H   -0.036794   0.002115   0.001325   0.000008  -0.000021  -0.000000
    20  H    0.008199  -0.026757   0.008648  -0.000004   0.000015   0.000000
    21  H   -0.001898  -0.010156   0.025381  -0.000001  -0.000001   0.000000
    22  H   -0.000377  -0.002417   0.002989  -0.000009   0.000013   0.000003
    23  H    0.011244  -0.002129  -0.009806   0.000000  -0.000002   0.000000
    24  H   -0.017330   0.007529   0.009839  -0.000000  -0.000000   0.000000
    25  H    0.734000  -0.084909  -0.004682  -0.000000   0.000000  -0.000000
    26  H   -0.084909   0.728329  -0.025595   0.000000  -0.000000   0.000000
    27  H   -0.004682  -0.025595   0.710977   0.000000   0.000000  -0.000000
    28  H   -0.000000   0.000000   0.000000   1.294486  -0.167239   0.000018
    29  C    0.000000  -0.000000   0.000000  -0.167239   4.217596   0.004269
    30  H   -0.000000   0.000000  -0.000000   0.000018   0.004269   0.677027
    31  H    0.000000   0.000000   0.000000  -0.003012   0.304591  -0.000250
    32  H    0.000000   0.000000  -0.000000  -0.004783   0.218978   0.001738
    33  H   -0.000000  -0.000000   0.000000   0.020436   0.191972  -0.000270
              31         32         33
     1  C    0.006406  -0.001189   0.001676
     2  C    0.001287  -0.000122   0.002306
     3  C   -0.014315  -0.002979  -0.017959
     4  C    0.004355  -0.000129  -0.037544
     5  C   -0.006111  -0.013035   0.023996
     6  C    0.000286   0.000072  -0.001855
     7  C   -0.000025  -0.000000  -0.000018
     8  C   -0.000004  -0.000000   0.000004
     9  C   -0.000000   0.000000  -0.000000
    10  C    0.000000   0.000000  -0.000000
    11  C    0.098158   0.161258   0.140068
    12  C   -0.018084  -0.002529   0.015722
    13  O   -0.000197   0.001440  -0.003405
    14  O    0.030326  -0.013767   0.004968
    15  H    0.001819  -0.000057   0.000813
    16  H   -0.009651  -0.000399  -0.015750
    17  H   -0.001812  -0.003497   0.008227
    18  H    0.000108   0.000022  -0.000330
    19  H   -0.000003  -0.000000  -0.000003
    20  H    0.000001   0.000000  -0.000001
    21  H   -0.000000   0.000000  -0.000000
    22  H   -0.000000   0.000000   0.000001
    23  H   -0.000000  -0.000000  -0.000000
    24  H   -0.000000   0.000000  -0.000000
    25  H    0.000000   0.000000  -0.000000
    26  H    0.000000   0.000000  -0.000000
    27  H    0.000000  -0.000000   0.000000
    28  H   -0.003012  -0.004783   0.020436
    29  C    0.304591   0.218978   0.191972
    30  H   -0.000250   0.001738  -0.000270
    31  H    0.627357  -0.000289  -0.005159
    32  H   -0.000289   0.658201  -0.043421
    33  H   -0.005159  -0.043421   0.663554
 Mulliken charges:
               1
     1  C   -0.339912
     2  C   -1.388308
     3  C   -0.091864
     4  C   -1.187042
     5  C   -0.280016
     6  C   -0.459584
     7  C    1.004477
     8  C   -1.757614
     9  C    0.884681
    10  C    0.839889
    11  C   -0.473318
    12  C    0.716246
    13  O   -0.434474
    14  O   -0.369562
    15  H    0.482325
    16  H    0.430357
    17  H    0.599198
    18  H    0.426562
    19  H    0.227243
    20  H    0.091434
    21  H   -0.241333
    22  H    0.021449
    23  H    0.128714
    24  H   -0.084392
    25  H    0.110095
    26  H    0.042381
    27  H   -0.056764
    28  H    0.053640
    29  C    0.929342
    30  H    0.095471
    31  H   -0.015781
    32  H    0.044486
    33  H    0.051973
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.142412
     2  C   -1.388308
     3  C    0.338493
     4  C   -1.187042
     5  C    0.319183
     6  C   -0.033022
     7  C    1.323153
     8  C   -1.998946
     9  C    0.950452
    10  C    0.935602
    11  C   -0.419677
    12  C    0.716246
    13  O   -0.434474
    14  O   -0.274091
    29  C    1.010021
 Electronic spatial extent (au):  <R**2>=           4610.9175
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8343    Y=             -0.7608    Z=             -1.4854  Tot=              1.8659
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.4217   YY=            -90.7911   ZZ=            -92.5716
   XY=              1.9876   XZ=              6.7265   YZ=             -6.6280
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1731   YY=             -0.1963   ZZ=             -1.9768
   XY=              1.9876   XZ=              6.7265   YZ=             -6.6280
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -27.1588  YYY=             27.0051  ZZZ=             -5.2950  XYY=            -20.0055
  XXY=             -3.6272  XXZ=            -21.8368  XZZ=              8.7606  YZZ=             -4.9869
  YYZ=             -5.1691  XYZ=             17.6032
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4969.7999 YYYY=           -697.9000 ZZZZ=           -498.5504 XXXY=            -21.4743
 XXXZ=             96.3988 YYYX=            -84.0015 YYYZ=            -24.6664 ZZZX=             11.8088
 ZZZY=            -22.9565 XXYY=           -894.6742 XXZZ=           -955.2272 YYZZ=           -214.1323
 XXYZ=            -64.1205 YYXZ=             46.1384 ZZXY=             12.2048
 N-N= 9.726544920257D+02 E-N=-3.467685347288D+03  KE= 6.487253915518D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:18:30 2021, MaxMem=  6442450944 cpu:               6.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.14295476D-01-2.73838548D-01-5.59695094D-01
 Polarizability= 2.07574945D+02-1.91561303D+00 1.29421724D+02
                -1.16276622D-01-6.93531923D+00 1.42423764D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2804    0.2736       -1.0382   -1.0393
 2     -0.2804   -0.2736        3.3832    3.3834      -40.5808  -40.5794
 3      1.0382    1.0393       33.6062   33.6019       -3.3832   -3.3834
 4     -3.3832   -3.3834       -0.0000    0.0000        1.0394    1.0393
 5      6.9746    6.9776       -1.0394   -1.0393        0.2770    0.2736
 6      3.3832    3.3834       -0.2770   -0.2736       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.8208   -0.8208       -3.1180   -3.1180
 2    -10.1503  -10.1503       -0.0000    0.0000       -3.1180   -3.1180
 3    -10.1503  -10.1503       -0.8208   -0.8208        0.0000    0.0000
 4     -0.8208   -0.8208       10.1503   10.1503     -121.7383 -121.7383
 5      3.1180    3.1180      100.8056  100.8056      -10.1503  -10.1503
 6     20.9327   20.9327       -3.1180   -3.1180        0.8208    0.8208
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1447    0.0000       -2.0853   -1.0944        3.4207    4.1573
 2      0.9204    1.0944      -13.0973  -13.5337      162.3534  162.3177
 3     -3.5982   -4.1573     -134.3241 -134.4075       13.4182   13.5337
 4     13.7264   13.5337       -0.0794    0.0000       -4.3999   -4.1573
 5    -27.6800  -27.9103        4.1131    4.1573       -0.9083   -1.0944
 6    -13.5362  -13.5337        1.0335    1.0944       -0.2432    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5323    0.0000      -82.9303  -82.3166       -3.0197   -3.2369
 2     81.2625   82.3166      -15.2379  -12.5611       10.7251   12.4085
 3      1.9152    3.2369       23.5833   24.1459       12.7584   12.5611
 4     12.5925   12.5611        1.0179    0.0000        3.3760    3.2369
 5    -35.7719  -36.5544       -2.2324   -3.2369      -81.7724  -82.3166
 6    -13.1068  -12.5611       81.9277   82.3166       -0.3263    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.5881  -10.1375        1.4410    0.8483      -13.8178  -13.8772
 2     16.2602   15.8823      -61.0536  -61.3358      -13.2105  -13.8772
 3     16.4690   15.8823        2.0287    0.8483      -15.3554  -15.9014
 4     61.2315   62.1841      -28.1354  -26.0198       18.4663   19.9805
 5     -2.7777   -2.0242       30.5884   31.3124       25.7846   26.0198
 6    -50.6136  -51.2929        3.3073    2.0242      -61.0153  -62.1841
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9615   -0.0011   -0.0005    0.0005    2.0155    2.4544
 Low frequencies ---   22.1407   36.9610   44.7806
 Diagonal vibrational polarizability:
       33.7798898      31.2611392       9.9312678
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.1335                36.9606                44.7792
 Red. masses --      3.7021                 6.2482                 3.6274
 Frc consts  --      0.0011                 0.0050                 0.0043
 IR Inten    --      0.4799                 0.6865                 0.3438
 RamAct Fr= 1--      0.5085                 0.9515                 2.2103
  Dep-P Fr= 1--      0.7458                 0.6836                 0.7420
  Dep-U Fr= 1--      0.8544                 0.8120                 0.8519
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0003
 Beta2  Fr= 1--      0.0724                 0.1288                 0.3138
 AlphaG Fr= 1--     -0.0004                 0.0044                -0.0049
 Gamma2 Fr= 1--      0.3969                -0.1561                -1.2295
 Delta2 Fr= 1--      0.2259                 0.2149                -1.0312
 Raman1 Fr= 1--       2.034                  3.806                  8.841
 ROA1   Fr= 1--      45.328                 -8.113               -151.036
 CID1   Fr= 1--      22.284                 -2.132                -17.084
 Raman2 Fr= 1--       0.869                  1.545                  3.766
 ROA2   Fr= 1--       7.718                 -5.466                -21.259
 CID2   Fr= 1--       8.881                 -3.537                 -5.645
 Raman3 Fr= 1--       1.738                  3.091                  7.532
 ROA3   Fr= 1--      45.328                 -8.113               -151.036
 CID3   Fr= 1--      26.081                 -2.625                -20.054
 RC180  Fr= 1--       0.709                  0.624                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11   0.00    -0.01  -0.11  -0.05    -0.02  -0.13  -0.07
     2   6     0.00   0.04  -0.05    -0.01  -0.07  -0.03     0.00  -0.00  -0.03
     3   6    -0.02   0.11   0.04    -0.01  -0.12  -0.05    -0.01  -0.13  -0.06
     4   6     0.01   0.05   0.03    -0.01  -0.09  -0.03     0.01  -0.01  -0.01
     5   6     0.03  -0.02  -0.01    -0.01  -0.07  -0.03     0.03   0.12   0.02
     6   6     0.03  -0.03  -0.05    -0.01  -0.07  -0.03     0.03   0.12   0.01
     7   6    -0.00   0.03  -0.09    -0.01   0.01  -0.01     0.00   0.01  -0.06
     8   6     0.04  -0.07   0.03    -0.10   0.03   0.05     0.02  -0.05   0.02
     9   6     0.04   0.00   0.21    -0.22   0.03   0.14    -0.08   0.00   0.22
    10   6     0.04  -0.09  -0.05    -0.08   0.17   0.02     0.01   0.02  -0.12
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.01   0.02
    12   6    -0.04   0.01  -0.05     0.14   0.05  -0.01     0.00   0.01   0.00
    13   8     0.01   0.10  -0.10     0.42   0.14  -0.01    -0.16  -0.03  -0.01
    14   8    -0.15  -0.12  -0.10    -0.04  -0.02  -0.02     0.18   0.05   0.00
    15   1    -0.04   0.17   0.01    -0.02  -0.13  -0.05    -0.03  -0.22  -0.10
    16   1    -0.04   0.17   0.08    -0.02  -0.14  -0.05    -0.03  -0.22  -0.09
    17   1     0.06  -0.08  -0.02    -0.00  -0.05  -0.02     0.04   0.22   0.06
    18   1     0.05  -0.09  -0.09    -0.00  -0.04  -0.02     0.04   0.22   0.04
    19   1    -0.03   0.15  -0.09     0.01   0.07  -0.00    -0.02   0.09  -0.06
    20   1    -0.01  -0.03  -0.21     0.04   0.02  -0.04     0.01  -0.03  -0.14
    21   1     0.08  -0.20   0.03    -0.08  -0.06   0.05     0.10  -0.19   0.04
    22   1     0.05   0.01   0.26    -0.23  -0.06   0.18    -0.08  -0.05   0.34
    23   1     0.01   0.13   0.21    -0.25   0.12   0.14    -0.18   0.14   0.21
    24   1     0.08  -0.07   0.29    -0.27   0.04   0.18    -0.07  -0.04   0.27
    25   1    -0.00   0.04  -0.06    -0.09   0.27   0.02    -0.07   0.17  -0.15
    26   1     0.03  -0.15  -0.18     0.01   0.16  -0.05     0.09  -0.03  -0.28
    27   1     0.07  -0.16   0.03    -0.15   0.17   0.08     0.03  -0.04  -0.06
    28   1     0.05   0.10   0.10    -0.00   0.03   0.00     0.02   0.02   0.02
    29   6     0.03  -0.10   0.15    -0.08   0.04   0.02    -0.02   0.01   0.04
    30   1    -0.18  -0.11  -0.17     0.09   0.02  -0.03     0.15   0.04  -0.01
    31   1     0.02  -0.19   0.11    -0.07   0.01   0.01    -0.06   0.01   0.03
    32   1     0.03  -0.11   0.14    -0.07   0.13   0.03    -0.02   0.01   0.08
    33   1     0.06  -0.08   0.24    -0.16   0.02   0.03    -0.03   0.01   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.9946                67.7142               111.2610
 Red. masses --      4.4675                 3.0946                 4.5657
 Frc consts  --      0.0080                 0.0084                 0.0333
 IR Inten    --      0.2463                 0.0415                 0.0041
 RamAct Fr= 1--      3.4231                 0.1214                 2.5257
  Dep-P Fr= 1--      0.7492                 0.7397                 0.7336
  Dep-U Fr= 1--      0.8566                 0.8504                 0.8463
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.4887                 0.0172                 0.3563
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0005
 Gamma2 Fr= 1--      0.6315                 0.4384                -1.0465
 Delta2 Fr= 1--      0.2408                 0.2084                -0.3622
 Raman1 Fr= 1--      13.692                  0.485                 10.103
 ROA1   Fr= 1--      68.325                 48.757               -112.050
 CID1   Fr= 1--       4.990                100.430                -11.091
 Raman2 Fr= 1--       5.865                  0.206                  4.275
 ROA2   Fr= 1--      13.229                  8.854                -22.218
 CID2   Fr= 1--       2.256                 42.893                 -5.197
 Raman3 Fr= 1--      11.730                  0.413                  8.550
 ROA3   Fr= 1--      68.325                 48.757               -112.050
 CID3   Fr= 1--       5.825                118.096                -13.105
 RC180  Fr= 1--       0.713                  0.701                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.08    -0.04  -0.02  -0.09    -0.08   0.10   0.07
     2   6    -0.01   0.09  -0.02    -0.00   0.00  -0.11    -0.07   0.13   0.07
     3   6    -0.04  -0.11  -0.08    -0.04  -0.03  -0.04    -0.09  -0.03   0.04
     4   6    -0.02   0.01  -0.04     0.01  -0.02  -0.02    -0.08  -0.13   0.01
     5   6    -0.00   0.20   0.02     0.04  -0.02  -0.05    -0.08  -0.10   0.01
     6   6     0.00   0.24   0.03     0.04  -0.01  -0.09    -0.07   0.02   0.04
     7   6    -0.01   0.05  -0.03    -0.00   0.05  -0.11    -0.07   0.13   0.03
     8   6     0.04  -0.02   0.02    -0.06   0.02   0.01     0.05   0.07  -0.00
     9   6     0.15   0.01   0.03     0.06   0.03  -0.05     0.16   0.11   0.02
    10   6     0.03  -0.13   0.09    -0.06  -0.02   0.25     0.03  -0.08  -0.10
    11   6    -0.02  -0.05  -0.05     0.02   0.01   0.06    -0.08  -0.10  -0.00
    12   6    -0.02  -0.05   0.03     0.02   0.01   0.02     0.07  -0.05  -0.03
    13   8     0.15  -0.05   0.07    -0.05   0.02  -0.00     0.11  -0.01  -0.05
    14   8    -0.20  -0.04   0.05     0.11   0.00   0.01     0.22  -0.04  -0.04
    15   1    -0.04  -0.18  -0.11    -0.07  -0.02  -0.10    -0.08   0.17   0.09
    16   1    -0.05  -0.25  -0.13    -0.07  -0.04  -0.02    -0.09  -0.04   0.04
    17   1     0.01   0.30   0.06     0.08  -0.02  -0.03    -0.08  -0.17  -0.01
    18   1     0.01   0.37   0.07     0.07  -0.01  -0.11    -0.06   0.03   0.04
    19   1    -0.02   0.09  -0.03     0.01   0.15  -0.10    -0.12   0.13   0.02
    20   1    -0.05   0.01  -0.09     0.02   0.03  -0.18    -0.08   0.10  -0.01
    21   1    -0.00  -0.03   0.01    -0.23   0.02  -0.04     0.11   0.10   0.01
    22   1     0.16   0.07  -0.03     0.04   0.04  -0.26     0.18   0.21   0.04
    23   1     0.23   0.03   0.05     0.26   0.05  -0.00     0.14   0.09   0.01
    24   1     0.16  -0.02   0.09    -0.04   0.02   0.06     0.25   0.06   0.01
    25   1     0.08  -0.15   0.10     0.12  -0.05   0.31    -0.04  -0.14  -0.12
    26   1    -0.05  -0.16   0.09    -0.15  -0.02   0.33    -0.04  -0.11  -0.10
    27   1     0.07  -0.17   0.11    -0.12  -0.02   0.32     0.15  -0.13  -0.15
    28   1    -0.01  -0.10  -0.06     0.07   0.06   0.09    -0.12  -0.07  -0.00
    29   6    -0.01  -0.01  -0.08    -0.06  -0.03   0.15    -0.14  -0.04  -0.01
    30   1    -0.17  -0.04   0.10     0.10   0.00  -0.02     0.35   0.00  -0.06
    31   1    -0.05   0.05  -0.07    -0.11  -0.08   0.12    -0.10  -0.07  -0.01
    32   1    -0.01  -0.05  -0.06    -0.04   0.00   0.21    -0.14   0.06  -0.02
    33   1     0.01  -0.01  -0.14    -0.07  -0.03   0.18    -0.24  -0.07   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    166.7511               197.8825               227.3930
 Red. masses --      3.8068                 2.9367                 1.1098
 Frc consts  --      0.0624                 0.0678                 0.0338
 IR Inten    --      0.1772                 0.0236                 0.0260
 RamAct Fr= 1--      1.3346                 0.4123                 0.2033
  Dep-P Fr= 1--      0.1999                 0.5866                 0.7428
  Dep-U Fr= 1--      0.3332                 0.7395                 0.8524
 Alpha2 Fr= 1--      0.0181                 0.0013                 0.0000
 Beta2  Fr= 1--      0.0741                 0.0508                 0.0289
 AlphaG Fr= 1--     -0.0041                -0.0042                 0.0003
 Gamma2 Fr= 1--      0.0352                 0.3970                 0.0479
 Delta2 Fr= 1--      0.0287                 0.3238                 0.0702
 Raman1 Fr= 1--       5.338                  1.649                  0.813
 ROA1   Fr= 1--       4.296                 48.475                  6.841
 CID1   Fr= 1--       0.805                 29.391                  8.414
 Raman2 Fr= 1--       0.889                  0.610                  0.347
 ROA2   Fr= 1--       0.615                  6.938                  0.588
 CID2   Fr= 1--       0.691                 11.378                  1.696
 Raman3 Fr= 1--       1.779                  1.220                  0.693
 ROA3   Fr= 1--       4.296                 48.475                  6.841
 CID3   Fr= 1--       2.415                 39.746                  9.870
 RC180  Fr= 1--      -0.334                  0.479                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.08   0.02    -0.05  -0.11   0.03    -0.00   0.02   0.00
     2   6    -0.06   0.02  -0.02     0.00  -0.05   0.01     0.01   0.01  -0.00
     3   6    -0.05   0.10   0.09    -0.03  -0.11   0.09    -0.00   0.00   0.01
     4   6     0.00   0.06   0.10     0.00  -0.06   0.12    -0.00  -0.01   0.01
     5   6     0.02   0.10   0.10     0.04  -0.09   0.08     0.01   0.00   0.01
     6   6     0.01   0.08   0.03     0.04  -0.08   0.02     0.01   0.02   0.00
     7   6    -0.08  -0.03  -0.10     0.00   0.07  -0.10     0.01  -0.01  -0.01
     8   6    -0.11  -0.06  -0.04     0.00   0.04  -0.04     0.01  -0.01  -0.01
     9   6    -0.11  -0.05  -0.03     0.08   0.09   0.02    -0.00  -0.03  -0.03
    10   6    -0.11  -0.05   0.03     0.00   0.00  -0.01     0.01   0.02   0.04
    11   6    -0.00  -0.05   0.01    -0.01   0.02   0.03    -0.00  -0.01   0.00
    12   6     0.04  -0.04  -0.00    -0.02   0.03   0.00     0.00  -0.01   0.00
    13   8     0.10  -0.01  -0.01    -0.07   0.07  -0.03    -0.01  -0.00  -0.00
    14   8     0.14  -0.04  -0.01    -0.06  -0.02  -0.02    -0.00  -0.03  -0.00
    15   1    -0.10   0.08   0.01    -0.09  -0.13   0.00    -0.01   0.02   0.00
    16   1    -0.09   0.12   0.13    -0.06  -0.13   0.10    -0.01   0.00   0.02
    17   1     0.05   0.12   0.12     0.08  -0.09   0.10     0.02   0.00   0.01
    18   1     0.06   0.09  -0.00     0.07  -0.08   0.00     0.02   0.03  -0.00
    19   1    -0.11   0.03  -0.11    -0.09   0.18  -0.12     0.01  -0.02  -0.01
    20   1    -0.07  -0.05  -0.16     0.10   0.05  -0.22    -0.01  -0.01  -0.01
    21   1    -0.16  -0.09  -0.06    -0.02  -0.00  -0.05    -0.01  -0.01  -0.01
    22   1    -0.12  -0.08  -0.07     0.05   0.05  -0.18     0.03   0.08   0.20
    23   1    -0.07  -0.02  -0.01     0.30   0.22   0.08    -0.24  -0.15  -0.10
    24   1    -0.15  -0.05   0.02    -0.06   0.04   0.22     0.19  -0.02  -0.23
    25   1    -0.04  -0.02   0.06     0.02  -0.01  -0.01     0.11   0.45   0.07
    26   1    -0.14  -0.07   0.02    -0.02   0.00  -0.00    -0.02  -0.16  -0.33
    27   1    -0.13  -0.07   0.09     0.01  -0.00  -0.01    -0.04  -0.19   0.41
    28   1    -0.08  -0.09  -0.02    -0.13  -0.01  -0.01    -0.02  -0.02  -0.00
    29   6     0.21  -0.07  -0.12     0.08   0.14  -0.13    -0.03   0.03  -0.01
    30   1     0.24  -0.01  -0.03    -0.11  -0.03  -0.05    -0.01  -0.03  -0.02
    31   1     0.27   0.01  -0.07     0.32   0.14  -0.08     0.17  -0.10  -0.02
    32   1     0.18  -0.23  -0.24     0.04   0.28  -0.35    -0.04   0.26  -0.16
    33   1     0.35  -0.03  -0.15    -0.07   0.10  -0.10    -0.23  -0.02   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    233.4609               250.0540               254.4118
 Red. masses --      1.1277                 1.4921                 1.6414
 Frc consts  --      0.0362                 0.0550                 0.0626
 IR Inten    --      0.0024                 0.0864                 0.1041
 RamAct Fr= 1--      0.1415                 1.1385                 0.4447
  Dep-P Fr= 1--      0.6696                 0.4829                 0.5340
  Dep-U Fr= 1--      0.8021                 0.6513                 0.6962
 Alpha2 Fr= 1--      0.0002                 0.0061                 0.0019
 Beta2  Fr= 1--      0.0189                 0.1236                 0.0516
 AlphaG Fr= 1--      0.0000                -0.0195                -0.0052
 Gamma2 Fr= 1--      0.0852                -0.7706                 0.4369
 Delta2 Fr= 1--      0.0588                 0.0181                 0.0972
 Raman1 Fr= 1--       0.566                  4.554                  1.779
 ROA1   Fr= 1--      10.062                -73.396                 45.054
 CID1   Fr= 1--      17.782                -16.118                 25.330
 Raman2 Fr= 1--       0.227                  1.483                  0.619
 ROA2   Fr= 1--       1.575                -18.638                  9.709
 CID2   Fr= 1--       6.942                -12.569                 15.680
 Raman3 Fr= 1--       0.454                  2.966                  1.238
 ROA3   Fr= 1--      10.062                -73.396                 45.054
 CID3   Fr= 1--      22.169                -24.748                 36.383
 RC180  Fr= 1--       0.604                  0.303                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.00    -0.01  -0.05  -0.03     0.00  -0.04   0.00
     2   6     0.01   0.01  -0.01    -0.02  -0.01  -0.01    -0.02  -0.03   0.02
     3   6     0.01   0.03  -0.00    -0.01  -0.04  -0.02     0.00  -0.01  -0.02
     4   6     0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.01   0.02  -0.02
     5   6     0.01   0.03  -0.00    -0.00  -0.02  -0.01    -0.04  -0.00  -0.01
     6   6     0.01   0.04  -0.00    -0.01  -0.04  -0.02    -0.04  -0.03   0.01
     7   6     0.01  -0.02  -0.00    -0.02   0.04   0.02    -0.02  -0.00   0.02
     8   6    -0.00  -0.02   0.00    -0.03   0.04   0.02    -0.01   0.01  -0.01
     9   6    -0.03  -0.03   0.01     0.01   0.06   0.02     0.04   0.03  -0.01
    10   6    -0.00  -0.00  -0.00    -0.04  -0.06   0.00    -0.01   0.01  -0.03
    11   6     0.01  -0.01  -0.01     0.02   0.03  -0.00    -0.01   0.02  -0.03
    12   6     0.01  -0.02   0.00     0.00   0.03  -0.00    -0.01   0.03  -0.03
    13   8     0.00  -0.03   0.01     0.00   0.00   0.01     0.02  -0.02   0.02
    14   8     0.00  -0.02   0.00    -0.01   0.06   0.01    -0.01   0.11   0.02
    15   1     0.01   0.05   0.00    -0.01  -0.07  -0.04     0.02  -0.05   0.01
    16   1     0.01   0.04   0.00    -0.01  -0.05  -0.02     0.02  -0.00  -0.03
    17   1     0.01   0.03  -0.00    -0.01  -0.03  -0.01    -0.06   0.01  -0.02
    18   1     0.01   0.05   0.00     0.00  -0.04  -0.03    -0.06  -0.04   0.02
    19   1     0.01  -0.01  -0.00     0.00   0.06   0.02    -0.02  -0.04   0.02
    20   1    -0.01  -0.02  -0.00    -0.00   0.05   0.02    -0.00   0.02   0.06
    21   1     0.00  -0.03   0.00    -0.02   0.06   0.03     0.00   0.02  -0.01
    22   1    -0.06  -0.11  -0.10     0.07   0.26   0.40     0.00  -0.06  -0.31
    23   1     0.08   0.03   0.04    -0.39  -0.11  -0.09     0.37   0.15   0.08
    24   1    -0.15  -0.01   0.10     0.35   0.02  -0.27    -0.17   0.02   0.23
    25   1    -0.04  -0.25  -0.02    -0.08  -0.28  -0.02     0.01   0.33  -0.02
    26   1     0.04   0.11   0.22    -0.10  -0.00   0.16    -0.02  -0.12  -0.32
    27   1     0.00   0.13  -0.22     0.04  -0.00  -0.17    -0.00  -0.15   0.21
    28   1     0.01  -0.01  -0.00     0.01   0.05   0.01    -0.00   0.07  -0.01
    29   6    -0.03   0.01   0.01     0.10  -0.06   0.01     0.06  -0.12   0.03
    30   1    -0.01  -0.02  -0.00    -0.03   0.05   0.05     0.01   0.11   0.09
    31   1     0.33  -0.29  -0.04     0.25  -0.21  -0.01     0.20  -0.33  -0.02
    32   1    -0.06   0.42  -0.26     0.07   0.01  -0.14     0.04  -0.06  -0.11
    33   1    -0.40  -0.09   0.33     0.05  -0.06   0.20     0.03  -0.12   0.28
                     13                     14                     15
                      A                      A                      A
 Frequencies --    297.2565               318.5885               346.0931
 Red. masses --      2.7188                 3.6183                 3.2536
 Frc consts  --      0.1415                 0.2164                 0.2296
 IR Inten    --      0.2623                 0.7609                 0.4049
 RamAct Fr= 1--      1.7079                 0.5800                 2.1916
  Dep-P Fr= 1--      0.1760                 0.4571                 0.6597
  Dep-U Fr= 1--      0.2993                 0.6274                 0.7949
 Alpha2 Fr= 1--      0.0247                 0.0035                 0.0035
 Beta2  Fr= 1--      0.0852                 0.0607                 0.2904
 AlphaG Fr= 1--      0.0115                 0.0052                 0.0094
 Gamma2 Fr= 1--     -0.1154                 0.1140                 0.8721
 Delta2 Fr= 1--     -0.2172                -0.0169                 0.1109
 Raman1 Fr= 1--       6.832                  2.320                  8.767
 ROA1   Fr= 1--     -18.031                 10.399                 87.272
 CID1   Fr= 1--      -2.639                  4.482                  9.955
 Raman2 Fr= 1--       1.022                  0.728                  3.484
 ROA2   Fr= 1--      -1.032                  2.871                 20.044
 CID2   Fr= 1--      -1.010                  3.944                  5.753
 Raman3 Fr= 1--       2.045                  1.456                  6.969
 ROA3   Fr= 1--     -18.031                 10.399                 87.272
 CID3   Fr= 1--      -8.819                  7.144                 12.523
 RC180  Fr= 1--      -0.401                  0.255                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.03     0.08   0.03   0.10    -0.04   0.09  -0.04
     2   6     0.01   0.01  -0.00     0.05  -0.00   0.08    -0.00   0.20  -0.02
     3   6    -0.06  -0.02   0.06     0.09  -0.01   0.06    -0.05  -0.13  -0.02
     4   6    -0.06  -0.03   0.05     0.07  -0.07   0.02     0.01  -0.13   0.01
     5   6    -0.02  -0.02   0.03     0.06  -0.02   0.07     0.05  -0.14  -0.03
     6   6    -0.00   0.01   0.00     0.08   0.03   0.11     0.05   0.08  -0.04
     7   6     0.04  -0.02  -0.10    -0.00   0.05  -0.12    -0.00   0.07   0.08
     8   6     0.10  -0.08  -0.03    -0.06   0.02  -0.06     0.05   0.00   0.08
     9   6     0.03  -0.09   0.00    -0.09   0.03  -0.02    -0.12  -0.12  -0.05
    10   6     0.15   0.14   0.07    -0.08  -0.12   0.01     0.04  -0.07  -0.00
    11   6    -0.09  -0.01  -0.03     0.06   0.00  -0.09     0.03   0.01   0.03
    12   6    -0.04   0.03  -0.05     0.04   0.01  -0.11     0.02   0.05   0.00
    13   8     0.02  -0.01  -0.01     0.01  -0.12  -0.04    -0.04   0.06  -0.01
    14   8    -0.02   0.13  -0.00    -0.07   0.16  -0.04    -0.03   0.06   0.01
    15   1    -0.10   0.02   0.02     0.11   0.07   0.13    -0.09   0.13  -0.05
    16   1    -0.06  -0.03   0.06     0.09   0.01   0.06    -0.11  -0.21  -0.01
    17   1     0.02  -0.03   0.05     0.05  -0.01   0.07     0.09  -0.23  -0.03
    18   1    -0.00   0.02   0.00     0.09   0.07   0.13     0.11   0.11  -0.08
    19   1    -0.06   0.10  -0.12    -0.16   0.22  -0.15     0.09   0.03   0.11
    20   1     0.03  -0.08  -0.25     0.13   0.03  -0.30    -0.15   0.02   0.12
    21   1     0.08  -0.13  -0.04    -0.10  -0.02  -0.07     0.09   0.04   0.10
    22   1     0.05  -0.08   0.16    -0.09  -0.00   0.04    -0.17  -0.37  -0.20
    23   1    -0.14  -0.14  -0.04    -0.15   0.06  -0.03    -0.02  -0.17  -0.03
    24   1     0.12  -0.08  -0.11    -0.09   0.03  -0.02    -0.39   0.07  -0.07
    25   1     0.23   0.01   0.09    -0.02  -0.14   0.03    -0.02  -0.03  -0.02
    26   1     0.32   0.30   0.29    -0.25  -0.17  -0.00    -0.02  -0.14  -0.09
    27   1    -0.07   0.36  -0.05     0.00  -0.21   0.06     0.14  -0.16   0.03
    28   1    -0.14   0.04  -0.02     0.01   0.10  -0.06    -0.02   0.04   0.03
    29   6    -0.02  -0.10  -0.02    -0.11  -0.01   0.04     0.09   0.00   0.00
    30   1     0.05   0.14   0.09    -0.18   0.10   0.12    -0.12   0.03   0.05
    31   1    -0.03  -0.14  -0.03    -0.32  -0.02  -0.00     0.11   0.04   0.02
    32   1    -0.03  -0.18  -0.03    -0.07   0.03   0.27     0.08  -0.07  -0.05
    33   1     0.06  -0.07   0.04    -0.14  -0.02  -0.01     0.16   0.02  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    387.4705               407.3287               419.2855
 Red. masses --      2.6957                 2.5949                 2.9481
 Frc consts  --      0.2385                 0.2537                 0.3054
 IR Inten    --      0.7465                 0.3626                 0.0296
 RamAct Fr= 1--      0.1596                 6.2394                 0.0246
  Dep-P Fr= 1--      0.5260                 0.1024                 0.3817
  Dep-U Fr= 1--      0.6894                 0.1858                 0.5525
 Alpha2 Fr= 1--      0.0007                 0.1086                 0.0002
 Beta2  Fr= 1--      0.0183                 0.1932                 0.0023
 AlphaG Fr= 1--      0.0021                -0.0191                -0.0071
 Gamma2 Fr= 1--      0.3900                -0.2650                -0.3168
 Delta2 Fr= 1--      0.1785                 0.1512                -0.0458
 Raman1 Fr= 1--       0.638                 24.957                  0.098
 ROA1   Fr= 1--      43.151                -20.605                -31.877
 CID1   Fr= 1--      67.595                 -0.826               -324.463
 Raman2 Fr= 1--       0.220                  2.318                  0.027
 ROA2   Fr= 1--       7.932                 -7.571                 -7.236
 CID2   Fr= 1--      36.046                 -3.266               -266.617
 Raman3 Fr= 1--       0.440                  4.636                  0.054
 ROA3   Fr= 1--      43.151                -20.605                -31.877
 CID3   Fr= 1--      98.048                 -4.444               -587.236
 RC180  Fr= 1--       0.379                 -0.628                  0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.07     0.00   0.06   0.02    -0.02  -0.19  -0.08
     2   6     0.00   0.01   0.13    -0.06   0.05   0.05    -0.00   0.00  -0.02
     3   6     0.05   0.01  -0.09     0.01  -0.04  -0.06     0.01   0.19   0.08
     4   6    -0.02   0.03  -0.11     0.05  -0.06  -0.05     0.00  -0.01   0.01
     5   6    -0.10  -0.04  -0.09    -0.02  -0.04  -0.00    -0.00  -0.20  -0.06
     6   6    -0.07   0.00   0.10    -0.02   0.03   0.06     0.03   0.20   0.06
     7   6    -0.01   0.09  -0.11    -0.10  -0.02  -0.03    -0.00  -0.02   0.01
     8   6     0.05  -0.00  -0.04    -0.10  -0.10   0.06    -0.01  -0.00   0.01
     9   6    -0.07  -0.03  -0.03     0.12  -0.08   0.00     0.02   0.00   0.01
    10   6     0.06  -0.03   0.03    -0.10   0.12  -0.04    -0.01   0.01  -0.01
    11   6     0.00   0.02   0.01     0.10   0.03   0.00     0.00  -0.00   0.00
    12   6    -0.02   0.01   0.08     0.07   0.01  -0.01     0.00  -0.00  -0.01
    13   8    -0.02   0.08   0.04    -0.01  -0.04  -0.00     0.00  -0.00  -0.01
    14   8     0.03  -0.09   0.04    -0.01  -0.00  -0.01    -0.00   0.01  -0.00
    15   1     0.16  -0.10   0.10     0.06   0.07   0.05    -0.05  -0.40  -0.16
    16   1     0.14   0.02  -0.15    -0.01  -0.07  -0.06     0.02   0.43   0.17
    17   1    -0.21  -0.07  -0.15    -0.08  -0.04  -0.03    -0.01  -0.42  -0.13
    18   1    -0.17   0.01   0.17    -0.01   0.04   0.05     0.06   0.44   0.13
    19   1    -0.26   0.38  -0.16    -0.16   0.13  -0.04     0.03  -0.05   0.02
    20   1     0.13   0.01  -0.44    -0.10  -0.09  -0.19    -0.01  -0.00   0.05
    21   1     0.03  -0.04  -0.04    -0.11  -0.12   0.06    -0.01   0.00   0.01
    22   1    -0.08  -0.16   0.01     0.16   0.19  -0.09     0.02   0.04   0.00
    23   1    -0.13  -0.02  -0.04     0.23  -0.23   0.02     0.02  -0.00   0.01
    24   1    -0.15   0.04  -0.07     0.29  -0.16  -0.04     0.04  -0.01   0.01
    25   1     0.14  -0.05   0.06    -0.24   0.19  -0.08    -0.03   0.01  -0.01
    26   1    -0.02  -0.05   0.06     0.18   0.20  -0.06     0.01   0.01  -0.01
    27   1     0.05  -0.06   0.08    -0.23   0.26  -0.13    -0.02   0.02  -0.02
    28   1     0.09  -0.04   0.00     0.12   0.06   0.02    -0.00   0.00   0.00
    29   6     0.05  -0.01   0.00     0.07   0.06   0.05    -0.01  -0.00   0.00
    30   1     0.05  -0.06  -0.07    -0.20  -0.05  -0.01    -0.01   0.00   0.01
    31   1     0.11  -0.04   0.00     0.04   0.07   0.04    -0.01   0.01   0.00
    32   1     0.04  -0.05  -0.07     0.07   0.07   0.08    -0.01  -0.00   0.01
    33   1     0.09   0.00   0.06     0.06   0.06   0.02    -0.00  -0.00  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    427.6289               453.8464               552.7255
 Red. masses --      2.2153                 4.3149                 2.3165
 Frc consts  --      0.2387                 0.5236                 0.4170
 IR Inten    --      0.1881                 3.3720                15.0860
 RamAct Fr= 1--      0.7557                 1.7144                 0.7546
  Dep-P Fr= 1--      0.7296                 0.2510                 0.4839
  Dep-U Fr= 1--      0.8437                 0.4013                 0.6522
 Alpha2 Fr= 1--      0.0003                 0.0203                 0.0040
 Beta2  Fr= 1--      0.1063                 0.1147                 0.0820
 AlphaG Fr= 1--      0.0019                 0.0147                 0.0040
 Gamma2 Fr= 1--     -0.2380                -0.1598                -0.1879
 Delta2 Fr= 1--     -0.0970                -0.3593                -0.0308
 Raman1 Fr= 1--       3.023                  6.858                  3.018
 ROA1   Fr= 1--     -25.949                -26.835                -19.027
 CID1   Fr= 1--      -8.585                 -3.913                 -6.304
 Raman2 Fr= 1--       1.275                  1.376                  0.984
 ROA2   Fr= 1--      -4.935                 -0.960                 -4.264
 CID2   Fr= 1--      -3.871                 -0.697                 -4.332
 Raman3 Fr= 1--       2.550                  2.752                  1.969
 ROA3   Fr= 1--     -25.949                -26.835                -19.027
 CID3   Fr= 1--     -10.176                 -9.751                 -9.665
 RC180  Fr= 1--       0.687                 -0.197                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.02     0.11   0.06   0.05     0.04  -0.03  -0.01
     2   6     0.01  -0.04  -0.03     0.11  -0.04  -0.02     0.03   0.19   0.06
     3   6    -0.01   0.05   0.03     0.09  -0.03   0.02     0.04  -0.05   0.00
     4   6    -0.00   0.09   0.04    -0.02  -0.11  -0.04     0.04   0.19   0.07
     5   6     0.01   0.05   0.02     0.07   0.00  -0.03     0.04  -0.05  -0.00
     6   6     0.01  -0.06  -0.04     0.09   0.07  -0.00     0.04  -0.03  -0.00
     7   6     0.02   0.13   0.01     0.08  -0.04  -0.03    -0.02  -0.00  -0.01
     8   6     0.01   0.03   0.20    -0.10  -0.03   0.07    -0.03  -0.04  -0.04
     9   6     0.01  -0.09  -0.04     0.05  -0.01  -0.00     0.00  -0.02   0.01
    10   6    -0.01  -0.00  -0.04    -0.15   0.01  -0.04    -0.05   0.01  -0.00
    11   6    -0.02   0.00  -0.01    -0.12  -0.09  -0.03    -0.03   0.02  -0.03
    12   6    -0.02  -0.02  -0.02    -0.10   0.03   0.10    -0.09  -0.01  -0.00
    13   8     0.02  -0.05   0.00    -0.05   0.24  -0.00     0.02  -0.01   0.02
    14   8     0.01  -0.00  -0.02     0.00   0.01   0.09    -0.01  -0.02  -0.01
    15   1    -0.04  -0.10  -0.04     0.10   0.18   0.08     0.02  -0.34  -0.11
    16   1    -0.01   0.07   0.04     0.14   0.03   0.00     0.02  -0.37  -0.11
    17   1     0.03   0.06   0.03     0.13   0.06   0.01     0.03  -0.37  -0.10
    18   1     0.01  -0.09  -0.05     0.08   0.16   0.05     0.04  -0.34  -0.13
    19   1     0.02   0.50   0.02     0.12   0.07  -0.02    -0.04  -0.10  -0.01
    20   1     0.11   0.03  -0.30     0.14  -0.03  -0.08    -0.13  -0.02   0.06
    21   1     0.04   0.05   0.21    -0.15  -0.05   0.05    -0.05  -0.06  -0.05
    22   1    -0.01  -0.12  -0.20     0.07   0.18  -0.08     0.01   0.03   0.01
    23   1     0.10  -0.39  -0.04     0.14  -0.13   0.01     0.02   0.02   0.01
    24   1    -0.07   0.08  -0.23     0.17  -0.07  -0.03     0.05  -0.08   0.05
    25   1    -0.26   0.05  -0.11    -0.32   0.03  -0.10    -0.02   0.02   0.01
    26   1     0.07  -0.04  -0.17    -0.07   0.00  -0.12    -0.02   0.03   0.02
    27   1     0.13  -0.04  -0.12    -0.08   0.02  -0.12    -0.11   0.04   0.00
    28   1    -0.03   0.00  -0.01    -0.10  -0.18  -0.06    -0.02  -0.02  -0.04
    29   6    -0.04   0.00  -0.01    -0.08  -0.15  -0.10    -0.04  -0.01  -0.02
    30   1     0.08   0.02  -0.01     0.22   0.08   0.08     0.46   0.12  -0.05
    31   1    -0.06  -0.01  -0.01    -0.03  -0.17  -0.10    -0.09  -0.06  -0.04
    32   1    -0.03   0.03   0.02    -0.10  -0.22  -0.17    -0.03   0.03   0.03
    33   1    -0.07  -0.01  -0.01    -0.02  -0.13  -0.05    -0.08  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    580.9569               605.7165               635.4028
 Red. masses --      2.5614                 2.0820                 2.3004
 Frc consts  --      0.5093                 0.4501                 0.5472
 IR Inten    --     32.4678                65.8833                43.3908
 RamAct Fr= 1--      1.5620                 0.4336                 2.5217
  Dep-P Fr= 1--      0.1786                 0.5030                 0.4196
  Dep-U Fr= 1--      0.3031                 0.6693                 0.5911
 Alpha2 Fr= 1--      0.0224                 0.0021                 0.0174
 Beta2  Fr= 1--      0.0789                 0.0484                 0.2484
 AlphaG Fr= 1--     -0.0293                -0.0099                 0.0329
 Gamma2 Fr= 1--      0.4574                 0.0475                -0.5510
 Delta2 Fr= 1--      0.2452                 0.2187                -0.1962
 Raman1 Fr= 1--       6.248                  1.735                 10.087
 ROA1   Fr= 1--      51.759                 11.561                -59.176
 CID1   Fr= 1--       8.284                  6.665                 -5.867
 Raman2 Fr= 1--       0.947                  0.580                  2.981
 ROA2   Fr= 1--       9.017                 -0.609                -11.654
 CID2   Fr= 1--       9.523                 -1.050                 -3.909
 Raman3 Fr= 1--       1.894                  1.161                  5.963
 ROA3   Fr= 1--      51.759                 11.561                -59.176
 CID3   Fr= 1--      27.334                  9.959                 -9.925
 RC180  Fr= 1--      -0.394                  0.339                  0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07    -0.02  -0.01  -0.03     0.03   0.03  -0.08
     2   6     0.08  -0.04  -0.01    -0.06  -0.03   0.01    -0.07  -0.05  -0.05
     3   6    -0.01  -0.05   0.00    -0.02   0.04  -0.06     0.06  -0.01   0.03
     4   6    -0.09  -0.04  -0.03     0.06  -0.02  -0.03     0.06  -0.08   0.01
     5   6    -0.03  -0.02  -0.08     0.03   0.02   0.01    -0.02  -0.04   0.11
     6   6    -0.00   0.06  -0.02     0.02  -0.04   0.04    -0.03   0.00   0.00
     7   6     0.10  -0.03  -0.02    -0.07   0.02   0.02    -0.07   0.02   0.01
     8   6    -0.02   0.00   0.01     0.01   0.00  -0.00     0.01   0.00   0.00
     9   6     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.00   0.00     0.04   0.00   0.00
    11   6    -0.09   0.05   0.11     0.07  -0.10   0.05     0.05   0.10  -0.12
    12   6    -0.09  -0.00  -0.05    -0.03  -0.10  -0.02    -0.00   0.09   0.04
    13   8     0.04  -0.11   0.03    -0.02   0.05  -0.11    -0.03  -0.01   0.10
    14   8    -0.04   0.00  -0.08    -0.07   0.06   0.06    -0.04  -0.07  -0.04
    15   1    -0.01   0.14   0.08     0.05   0.01   0.01     0.04   0.17  -0.03
    16   1     0.08   0.02  -0.03    -0.04   0.10  -0.02    -0.03   0.10   0.14
    17   1     0.02   0.03  -0.05    -0.02   0.09   0.00    -0.01   0.12   0.16
    18   1    -0.08   0.16   0.07     0.05   0.01   0.03     0.07   0.18  -0.01
    19   1     0.11  -0.00  -0.02    -0.09   0.02   0.02    -0.06   0.04   0.01
    20   1     0.14  -0.01  -0.03    -0.07   0.01  -0.00    -0.06   0.01  -0.02
    21   1    -0.06  -0.02  -0.00     0.05   0.02   0.01     0.04   0.03   0.01
    22   1     0.01   0.05  -0.01    -0.01  -0.03   0.01    -0.01  -0.03   0.00
    23   1     0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00  -0.00
    24   1     0.03  -0.01  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    25   1    -0.10  -0.02  -0.02     0.07   0.01   0.02     0.07   0.01   0.01
    26   1    -0.06  -0.02  -0.03     0.04   0.01   0.02     0.04   0.01   0.02
    27   1     0.01  -0.03  -0.03     0.00   0.01   0.02     0.01   0.01   0.02
    28   1    -0.07   0.15   0.15     0.12  -0.12   0.06     0.00   0.04  -0.15
    29   6     0.07   0.09   0.09     0.02   0.02   0.03    -0.01  -0.01  -0.03
    30   1     0.68   0.21  -0.12     0.74   0.24   0.38     0.67   0.16  -0.32
    31   1     0.23   0.21   0.16     0.06   0.14   0.07    -0.16  -0.22  -0.13
    32   1     0.04   0.01  -0.10     0.03   0.15   0.02     0.01  -0.05   0.12
    33   1     0.15   0.12   0.02    -0.12  -0.03  -0.12     0.04   0.01   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    662.8448               726.9254               753.0541
 Red. masses --      5.7867                 3.1266                 4.0165
 Frc consts  --      1.4980                 0.9734                 1.3420
 IR Inten    --      5.3118                20.3421                 7.6635
 RamAct Fr= 1--      5.9633                 1.5557                 3.5092
  Dep-P Fr= 1--      0.5541                 0.2104                 0.0945
  Dep-U Fr= 1--      0.7131                 0.3477                 0.1726
 Alpha2 Fr= 1--      0.0223                 0.0205                 0.0623
 Beta2  Fr= 1--      0.7087                 0.0901                 0.1010
 AlphaG Fr= 1--     -0.0456                -0.0127                 0.0074
 Gamma2 Fr= 1--     -0.3379                -0.6515                -0.5267
 Delta2 Fr= 1--     -0.1537                -0.0709                 0.0921
 Raman1 Fr= 1--      23.853                  6.223                 14.037
 ROA1   Fr= 1--     -37.362                -64.817                -47.615
 CID1   Fr= 1--      -1.566                -10.416                 -3.392
 Raman2 Fr= 1--       8.504                  1.082                  1.211
 ROA2   Fr= 1--      -6.881                -15.069                -13.378
 CID2   Fr= 1--      -0.809                -13.930                -11.043
 Raman3 Fr= 1--      17.009                  2.164                  2.423
 ROA3   Fr= 1--     -37.362                -64.817                -47.615
 CID3   Fr= 1--      -2.197                -29.959                -19.652
 RC180  Fr= 1--       0.426                 -0.305                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.23  -0.04   0.18    -0.10   0.04   0.10    -0.01  -0.15   0.03
     2   6    -0.02  -0.05   0.08     0.05  -0.04  -0.02     0.08   0.22   0.07
     3   6    -0.25   0.07  -0.14    -0.10  -0.04   0.04     0.01   0.11   0.10
     4   6     0.02   0.01  -0.09    -0.03   0.08   0.03    -0.07  -0.21  -0.07
     5   6     0.24   0.03  -0.17    -0.08  -0.02  -0.02    -0.01   0.15  -0.02
     6   6     0.28  -0.08   0.16    -0.07   0.08  -0.01    -0.03  -0.10  -0.09
     7   6    -0.03  -0.01   0.03     0.16  -0.07  -0.05     0.04   0.07   0.00
     8   6     0.00   0.01   0.01     0.00   0.02   0.04     0.00  -0.02  -0.05
     9   6     0.00  -0.00   0.00    -0.01   0.03  -0.00     0.01  -0.06   0.01
    10   6     0.01   0.00   0.00    -0.02   0.00   0.01    -0.07   0.00  -0.01
    11   6     0.01   0.06  -0.07     0.13   0.03  -0.12    -0.00  -0.00   0.00
    12   6    -0.00   0.09   0.03     0.17  -0.01   0.01     0.20   0.06   0.01
    13   8    -0.01  -0.02   0.10    -0.05   0.02  -0.07    -0.06  -0.01  -0.00
    14   8    -0.01  -0.03  -0.07    -0.05  -0.05   0.09    -0.06  -0.02   0.01
    15   1    -0.11  -0.01   0.24    -0.22  -0.06   0.01    -0.08  -0.36  -0.07
    16   1    -0.19   0.13  -0.16    -0.13  -0.28  -0.03     0.09   0.31   0.12
    17   1     0.14   0.11  -0.19    -0.11  -0.25  -0.10     0.05   0.32   0.06
    18   1     0.24  -0.02   0.21    -0.16  -0.05   0.01    -0.12  -0.36  -0.13
    19   1     0.01  -0.11   0.04     0.20  -0.03  -0.04     0.04  -0.07  -0.00
    20   1    -0.07   0.02   0.14     0.21  -0.05  -0.04    -0.07   0.07   0.13
    21   1     0.02   0.03   0.02    -0.07  -0.03   0.02    -0.03  -0.05  -0.06
    22   1     0.00  -0.02   0.00    -0.01   0.06  -0.03     0.02  -0.06   0.04
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00   0.01
    24   1    -0.01   0.01  -0.01     0.01   0.05  -0.04     0.03  -0.10   0.06
    25   1     0.01   0.00   0.00    -0.14  -0.03  -0.03    -0.02   0.00   0.01
    26   1     0.02   0.00   0.00    -0.05  -0.04  -0.06    -0.08   0.02   0.02
    27   1     0.01   0.00   0.00     0.13  -0.05  -0.06    -0.12   0.02   0.02
    28   1    -0.01   0.03  -0.09     0.07  -0.04  -0.16    -0.04   0.04   0.01
    29   6    -0.03  -0.03  -0.05     0.02   0.01  -0.02    -0.00  -0.00  -0.00
    30   1     0.16   0.05  -0.33     0.35   0.05   0.22     0.28   0.07   0.00
    31   1    -0.11  -0.16  -0.12    -0.20  -0.20  -0.14     0.05  -0.02  -0.00
    32   1    -0.02  -0.07   0.02     0.07   0.08   0.24    -0.01  -0.10  -0.06
    33   1     0.02  -0.01   0.07    -0.02  -0.00   0.14     0.10   0.03   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    802.7577               823.2517               834.4854
 Red. masses --      2.3022                 3.8681                 2.8874
 Frc consts  --      0.8741                 1.5446                 1.1847
 IR Inten    --      7.5036                 7.1178                 1.5445
 RamAct Fr= 1--     28.4899                 1.4491                 2.9232
  Dep-P Fr= 1--      0.0460                 0.1426                 0.2709
  Dep-U Fr= 1--      0.0880                 0.2496                 0.4263
 Alpha2 Fr= 1--      0.5681                 0.0228                 0.0327
 Beta2  Fr= 1--      0.4177                 0.0603                 0.2077
 AlphaG Fr= 1--      0.1981                 0.0251                 0.0191
 Gamma2 Fr= 1--      0.2941                -0.6442                 1.4963
 Delta2 Fr= 1--      0.4474                 0.4902                 0.2700
 Raman1 Fr= 1--     113.960                  5.796                 11.693
 ROA1   Fr= 1--      42.549                -46.154                152.283
 CID1   Fr= 1--       0.373                 -7.963                 13.024
 Raman2 Fr= 1--       5.013                  0.723                  2.492
 ROA2   Fr= 1--       3.478                -19.381                 33.750
 CID2   Fr= 1--       0.694                -26.797                 13.543
 Raman3 Fr= 1--      10.026                  1.447                  4.984
 ROA3   Fr= 1--      42.549                -46.154                152.283
 CID3   Fr= 1--       4.244                -31.907                 30.552
 RC180  Fr= 1--      -0.824                 -0.501                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.07   0.03   0.02     0.02  -0.02   0.02
     2   6     0.03   0.01  -0.00    -0.02  -0.12  -0.03    -0.00   0.07   0.02
     3   6    -0.00  -0.06   0.03     0.06  -0.05   0.01     0.04  -0.01   0.05
     4   6    -0.02   0.06   0.02    -0.04   0.13   0.06    -0.04  -0.05  -0.02
     5   6    -0.00  -0.05  -0.05     0.06  -0.01  -0.09     0.05  -0.00  -0.05
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.05  -0.02  -0.04
     7   6     0.01   0.13   0.04    -0.15   0.06   0.07    -0.10  -0.12  -0.02
     8   6     0.01  -0.00  -0.09    -0.01  -0.01  -0.03    -0.04  -0.04   0.09
     9   6     0.04  -0.12   0.03     0.01  -0.02   0.00    -0.06   0.14  -0.04
    10   6    -0.08   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.08  -0.08    -0.12   0.03   0.10    -0.08   0.13  -0.07
    12   6    -0.08  -0.08  -0.02     0.31   0.06  -0.02    -0.04  -0.08  -0.04
    13   8     0.03   0.00  -0.06    -0.07  -0.05  -0.04     0.02  -0.02  -0.08
    14   8     0.03  -0.03   0.08    -0.07  -0.03   0.04     0.03  -0.05   0.11
    15   1    -0.03   0.33   0.15     0.11   0.15   0.08     0.00  -0.11  -0.01
    16   1     0.04   0.22   0.12     0.14  -0.19  -0.10     0.09   0.07   0.04
    17   1     0.06   0.30   0.09     0.14  -0.15  -0.10     0.14   0.24   0.06
    18   1     0.01   0.39   0.12     0.06   0.22   0.02     0.07   0.03  -0.03
    19   1     0.06  -0.05   0.05    -0.20   0.12   0.06    -0.16   0.01  -0.03
    20   1    -0.02   0.19   0.19    -0.09   0.04  -0.02    -0.20  -0.22  -0.16
    21   1     0.07   0.02  -0.07     0.12   0.08   0.01    -0.07  -0.04   0.08
    22   1     0.04  -0.18   0.11     0.01  -0.04   0.03    -0.05   0.26  -0.14
    23   1    -0.01   0.00   0.02    -0.01   0.04   0.00     0.02   0.02  -0.02
    24   1     0.02  -0.15   0.10    -0.00  -0.04   0.04    -0.01   0.15  -0.10
    25   1     0.10   0.01   0.04     0.19   0.03   0.04    -0.06   0.02  -0.03
    26   1    -0.13   0.04   0.07     0.05   0.04   0.07     0.25  -0.02  -0.07
    27   1    -0.23   0.04   0.07    -0.15   0.05   0.07     0.18  -0.00  -0.07
    28   1    -0.01   0.01  -0.11    -0.18   0.18   0.14    -0.14   0.10  -0.10
    29   6     0.03   0.05   0.01    -0.09  -0.05  -0.05     0.01   0.08   0.02
    30   1    -0.05  -0.07   0.19     0.18   0.02   0.16    -0.02  -0.09   0.25
    31   1    -0.11  -0.13  -0.08     0.12   0.01   0.01    -0.03  -0.16  -0.07
    32   1     0.05   0.03   0.16    -0.14  -0.26  -0.31     0.01  -0.13   0.04
    33   1     0.05   0.06   0.18     0.13   0.02  -0.02     0.23   0.16   0.31
                     31                     32                     33
                      A                      A                      A
 Frequencies --    851.3763               857.2046               872.8283
 Red. masses --      1.2785                 3.4398                 1.9483
 Frc consts  --      0.5460                 1.4892                 0.8745
 IR Inten    --      0.4032                 2.9320                20.7953
 RamAct Fr= 1--      1.2838                15.5719                 5.9321
  Dep-P Fr= 1--      0.7126                 0.1167                 0.0280
  Dep-U Fr= 1--      0.8322                 0.2090                 0.0544
 Alpha2 Fr= 1--      0.0008                 0.2617                 0.1235
 Beta2  Fr= 1--      0.1781                 0.5424                 0.0538
 AlphaG Fr= 1--      0.0077                -0.1421                 0.0958
 Gamma2 Fr= 1--      0.4031                 0.4209                -0.8170
 Delta2 Fr= 1--      0.2183                -0.5653                -0.2878
 Raman1 Fr= 1--       5.135                 62.288                 23.728
 ROA1   Fr= 1--      45.686                 22.320                -87.645
 CID1   Fr= 1--       8.896                  0.358                 -3.694
 Raman2 Fr= 1--       2.137                  6.509                  0.646
 ROA2   Fr= 1--       7.928                 14.625                -17.307
 CID2   Fr= 1--       3.710                  2.247                -26.800
 Raman3 Fr= 1--       4.274                 13.017                  1.292
 ROA3   Fr= 1--      45.686                 22.320                -87.645
 CID3   Fr= 1--      10.690                  1.715                -67.860
 RC180  Fr= 1--       0.664                 -0.582                 -0.891
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.07  -0.15    -0.01  -0.07  -0.03
     2   6     0.00   0.01   0.00    -0.03   0.03   0.01     0.02   0.12   0.04
     3   6     0.00   0.06   0.03    -0.05   0.08  -0.16    -0.02  -0.07  -0.04
     4   6     0.00   0.01   0.00     0.04  -0.01  -0.01     0.02   0.11   0.04
     5   6    -0.01  -0.07  -0.03    -0.03  -0.07   0.16    -0.03  -0.06  -0.00
     6   6    -0.01  -0.07  -0.04     0.04  -0.08   0.16    -0.02  -0.06  -0.01
     7   6     0.00  -0.01   0.01     0.14   0.00  -0.06     0.05  -0.05  -0.05
     8   6    -0.00  -0.00  -0.00     0.03   0.03  -0.01    -0.01  -0.03   0.03
     9   6    -0.00   0.00  -0.00     0.02  -0.04   0.02    -0.03   0.06  -0.02
    10   6    -0.00  -0.00  -0.00    -0.06   0.02   0.01     0.03  -0.01   0.02
    11   6     0.02  -0.02   0.01    -0.14   0.10   0.03     0.03  -0.03   0.05
    12   6    -0.00   0.01   0.00     0.06  -0.03  -0.03     0.07   0.02   0.01
    13   8    -0.00   0.00   0.01    -0.00  -0.03  -0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.01  -0.02    -0.00  -0.04   0.07    -0.02   0.01  -0.03
    15   1    -0.05  -0.45  -0.15     0.13  -0.14  -0.17     0.04   0.44   0.15
    16   1    -0.04  -0.45  -0.15    -0.17  -0.03  -0.13     0.02   0.43   0.14
    17   1     0.04   0.48   0.15    -0.17   0.13   0.17    -0.02   0.35   0.12
    18   1     0.02   0.47   0.16     0.15  -0.00   0.12    -0.01   0.33   0.14
    19   1    -0.01   0.04   0.01     0.22  -0.12  -0.04     0.05  -0.13  -0.05
    20   1     0.01  -0.02  -0.03     0.15   0.07   0.09    -0.08  -0.08   0.00
    21   1     0.02   0.02   0.00    -0.06  -0.04  -0.04    -0.13  -0.10  -0.00
    22   1    -0.00   0.01  -0.00     0.02  -0.11   0.04    -0.02   0.13  -0.07
    23   1    -0.00   0.02  -0.00    -0.01  -0.05   0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01    -0.01  -0.01  -0.00     0.00   0.06  -0.05
    25   1     0.01   0.00   0.00    -0.13  -0.04  -0.02    -0.16   0.00  -0.04
    26   1    -0.01   0.00   0.00    -0.16  -0.02  -0.03     0.10  -0.03  -0.07
    27   1    -0.01   0.00   0.01     0.08  -0.04  -0.03     0.14  -0.01  -0.08
    28   1     0.03  -0.04   0.01    -0.19   0.18   0.05     0.06  -0.00   0.07
    29   6     0.00  -0.01  -0.00    -0.06   0.03  -0.00    -0.03  -0.06  -0.03
    30   1    -0.01   0.01  -0.04     0.01  -0.05   0.19     0.03   0.03  -0.04
    31   1    -0.01   0.03   0.01     0.11  -0.05   0.00     0.01   0.07   0.02
    32   1     0.01   0.04   0.01    -0.11  -0.27  -0.25    -0.03   0.03  -0.06
    33   1    -0.05  -0.03  -0.05     0.25   0.13   0.16    -0.12  -0.09  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.0638               936.4969               955.6550
 Red. masses --      1.5004                 1.1980                 1.7201
 Frc consts  --      0.7114                 0.6190                 0.9256
 IR Inten    --      1.3825                 1.9276                 0.3947
 RamAct Fr= 1--      2.3480                 1.2004                 5.2723
  Dep-P Fr= 1--      0.7492                 0.4978                 0.7146
  Dep-U Fr= 1--      0.8566                 0.6647                 0.8336
 Alpha2 Fr= 1--      0.0000                 0.0060                 0.0032
 Beta2  Fr= 1--      0.3352                 0.1330                 0.7325
 AlphaG Fr= 1--     -0.0006                -0.0207                -0.0259
 Gamma2 Fr= 1--      0.8837                 0.3874                 0.4596
 Delta2 Fr= 1--      0.3463                 0.6772                -0.5761
 Raman1 Fr= 1--       9.392                  4.802                 21.089
 ROA1   Fr= 1--      95.916                 58.861                 25.684
 CID1   Fr= 1--      10.213                 12.259                  1.218
 Raman2 Fr= 1--       4.023                  1.596                  8.790
 ROA2   Fr= 1--      18.437                  3.880                 15.638
 CID2   Fr= 1--       4.583                  2.432                  1.779
 Raman3 Fr= 1--       8.046                  3.192                 17.579
 ROA3   Fr= 1--      95.916                 58.861                 25.684
 CID3   Fr= 1--      11.922                 18.443                  1.461
 RC180  Fr= 1--       0.713                  0.329                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.04    -0.00   0.00  -0.01    -0.00   0.00   0.01
     2   6     0.01   0.03   0.02     0.01   0.01   0.00    -0.02   0.00   0.01
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.03   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.01  -0.07  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.08   0.00
     7   6     0.06  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.11  -0.02
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.08   0.09   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.06  -0.03   0.04
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.07   0.08  -0.01
    11   6     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.02   0.06  -0.03    -0.00  -0.00  -0.01    -0.01  -0.04  -0.01
    16   1    -0.09   0.12   0.05    -0.02   0.04   0.01     0.02   0.12   0.06
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.08   0.47   0.14
    18   1     0.02  -0.00  -0.03    -0.00  -0.01   0.00    -0.03  -0.41  -0.18
    19   1    -0.10   0.49   0.11     0.03   0.02   0.01    -0.19  -0.01  -0.05
    20   1     0.20  -0.25  -0.41     0.05   0.02   0.01    -0.03  -0.15  -0.15
    21   1     0.14   0.27   0.03     0.25  -0.23   0.07     0.15   0.09   0.03
    22   1     0.01   0.13   0.10    -0.04   0.39  -0.29     0.03  -0.24   0.06
    23   1    -0.03   0.35  -0.04     0.25  -0.35   0.10    -0.03  -0.10   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.10    -0.08   0.13  -0.07
    25   1     0.11   0.01   0.03     0.44  -0.14   0.06    -0.01  -0.11   0.01
    26   1    -0.05   0.02   0.04    -0.31   0.01   0.16    -0.44  -0.02   0.04
    27   1    -0.15   0.01   0.07    -0.01  -0.09   0.16     0.16  -0.11   0.04
    28   1    -0.02   0.00  -0.01    -0.00  -0.00   0.00     0.02   0.02   0.02
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    31   1    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    32   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00  -0.01
    33   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.9428               971.9055               974.3107
 Red. masses --      1.5107                 1.4388                 1.4561
 Frc consts  --      0.8219                 0.8008                 0.8144
 IR Inten    --      0.0411                 0.0452                 0.0419
 RamAct Fr= 1--      1.2596                 1.6363                 0.9716
  Dep-P Fr= 1--      0.6891                 0.5564                 0.7423
  Dep-U Fr= 1--      0.8159                 0.7150                 0.8521
 Alpha2 Fr= 1--      0.0013                 0.0060                 0.0001
 Beta2  Fr= 1--      0.1713                 0.1950                 0.1380
 AlphaG Fr= 1--      0.0071                -0.0184                -0.0011
 Gamma2 Fr= 1--      0.8593                 0.6434                 0.0623
 Delta2 Fr= 1--      0.2818                -0.1761                 0.6617
 Raman1 Fr= 1--       5.038                  6.545                  3.887
 ROA1   Fr= 1--      91.510                 56.129                 27.153
 CID1   Fr= 1--      18.163                  8.575                  6.986
 Raman2 Fr= 1--       2.055                  2.340                  1.656
 ROA2   Fr= 1--      18.368                 16.850                 -3.798
 CID2   Fr= 1--       8.936                  7.201                 -2.294
 Raman3 Fr= 1--       4.111                  4.680                  3.312
 ROA3   Fr= 1--      91.510                 56.129                 27.153
 CID3   Fr= 1--      22.260                 11.994                  8.199
 RC180  Fr= 1--       0.632                  0.430                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.00  -0.05  -0.01    -0.01  -0.10  -0.05
     2   6    -0.01   0.03   0.01    -0.01   0.01   0.00     0.00   0.03   0.01
     3   6     0.00  -0.05  -0.01     0.01   0.04   0.02     0.01   0.10   0.03
     4   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.09   0.02     0.01   0.01  -0.01     0.00   0.01   0.01
     6   6    -0.01  -0.10  -0.05     0.00  -0.00  -0.00     0.00  -0.02  -0.00
     7   6    -0.03  -0.08  -0.02    -0.02   0.00  -0.01     0.00  -0.05  -0.00
     8   6     0.05   0.05   0.01    -0.06   0.06  -0.02     0.06  -0.01   0.01
     9   6     0.03  -0.02   0.02    -0.03  -0.11  -0.01     0.02   0.05   0.01
    10   6    -0.04   0.06   0.00     0.08   0.07   0.03    -0.06   0.00  -0.01
    11   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.19  -0.06     0.03   0.25   0.09     0.05   0.59   0.19
    16   1     0.03   0.22   0.09    -0.00  -0.26  -0.09    -0.05  -0.56  -0.21
    17   1    -0.01  -0.51  -0.18     0.01  -0.02  -0.01    -0.00  -0.10  -0.03
    18   1     0.05   0.56   0.18     0.01   0.02   0.00     0.02   0.11   0.04
    19   1    -0.13  -0.03  -0.04    -0.05  -0.01  -0.01    -0.05  -0.01  -0.01
    20   1    -0.05  -0.12  -0.10    -0.04  -0.01  -0.01    -0.03  -0.09  -0.08
    21   1     0.09   0.05   0.02    -0.22   0.17  -0.06     0.16  -0.07   0.04
    22   1     0.02  -0.12   0.03     0.02   0.17   0.07    -0.01  -0.10  -0.03
    23   1    -0.01  -0.07   0.01     0.07   0.14   0.03    -0.02  -0.09  -0.01
    24   1    -0.04   0.07  -0.04     0.19  -0.39   0.24    -0.09   0.21  -0.13
    25   1    -0.03  -0.08   0.00    -0.14  -0.13  -0.04     0.05   0.01   0.02
    26   1    -0.30  -0.02   0.01    -0.21  -0.09  -0.11    -0.08   0.03   0.05
    27   1     0.16  -0.08   0.02     0.53  -0.15  -0.08    -0.15   0.02   0.05
    28   1    -0.01   0.00  -0.01    -0.01  -0.02  -0.01    -0.05  -0.05  -0.03
    29   6     0.00   0.01   0.00     0.01   0.01   0.01     0.02   0.02   0.01
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    31   1     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02  -0.02  -0.01
    32   1     0.00  -0.01   0.01     0.01   0.00   0.01     0.02   0.01   0.04
    33   1     0.02   0.01   0.02     0.01   0.01   0.02     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.8744              1044.7970              1059.9139
 Red. masses --      1.9411                 2.8670                 1.7423
 Frc consts  --      1.1479                 1.8439                 1.1532
 IR Inten    --     26.5497                17.1245                64.8160
 RamAct Fr= 1--      8.1589                 0.3901                 3.8170
  Dep-P Fr= 1--      0.3482                 0.1595                 0.2509
  Dep-U Fr= 1--      0.5165                 0.2751                 0.4012
 Alpha2 Fr= 1--      0.0720                 0.0059                 0.0451
 Beta2  Fr= 1--      0.7024                 0.0179                 0.2552
 AlphaG Fr= 1--      0.1150                 0.0067                 0.0432
 Gamma2 Fr= 1--     -0.1383                 0.0207                -0.7400
 Delta2 Fr= 1--     -0.7570                -0.1740                -1.0510
 Raman1 Fr= 1--      32.635                  1.561                 15.268
 ROA1   Fr= 1--     -37.502                 -3.584               -104.666
 CID1   Fr= 1--      -1.149                 -2.297                 -6.855
 Raman2 Fr= 1--       8.429                  0.215                  3.063
 ROA2   Fr= 1--       2.736                  1.888                 -9.351
 CID2   Fr= 1--       0.325                  8.795                 -3.053
 Raman3 Fr= 1--      16.858                  0.429                  6.126
 ROA3   Fr= 1--     -37.502                 -3.584               -104.666
 CID3   Fr= 1--      -2.225                 -8.348                -17.087
 RC180  Fr= 1--       0.033                 -0.450                 -0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.04    -0.02  -0.07   0.20     0.03  -0.00   0.01
     2   6    -0.00   0.01  -0.01     0.03  -0.01  -0.00     0.01  -0.00   0.01
     3   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     4   6     0.05  -0.03  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6    -0.00   0.02   0.02    -0.01  -0.06   0.17    -0.00  -0.02   0.05
     6   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     7   6     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.00  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.04     0.00  -0.04   0.10
    15   1    -0.09   0.06   0.05     0.25  -0.12   0.31     0.17  -0.05   0.06
    16   1    -0.02  -0.15  -0.01     0.19   0.08  -0.33     0.10   0.08  -0.15
    17   1    -0.03  -0.09  -0.03     0.27  -0.12   0.28     0.11  -0.04   0.09
    18   1    -0.01   0.04  -0.02     0.19   0.11  -0.37     0.11   0.01  -0.09
    19   1     0.03   0.02   0.01    -0.07  -0.02  -0.01    -0.05  -0.01  -0.01
    20   1    -0.01  -0.02  -0.01    -0.02  -0.00   0.00     0.01   0.01   0.00
    21   1     0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
    22   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.02   0.00
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    25   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    26   1    -0.01   0.00   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    27   1    -0.02   0.00   0.01     0.02  -0.00  -0.01     0.02  -0.00  -0.01
    28   1     0.34   0.51   0.20     0.04  -0.11  -0.01    -0.31   0.23  -0.00
    29   6    -0.09  -0.11  -0.03    -0.04   0.03  -0.01     0.11  -0.06   0.03
    30   1     0.03  -0.02  -0.04    -0.01  -0.00   0.08     0.01   0.00  -0.20
    31   1     0.19   0.24   0.13     0.03  -0.12  -0.05    -0.14   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.07  -0.18  -0.10     0.18   0.41   0.31
    33   1    -0.08  -0.12  -0.38     0.16   0.10   0.16    -0.37  -0.22  -0.30
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.3827              1111.9344              1138.9599
 Red. masses --      1.9097                 1.7666                 2.2052
 Frc consts  --      1.3353                 1.2869                 1.6855
 IR Inten    --      7.3777                 1.5399                 0.3761
 RamAct Fr= 1--      2.5705                 5.0676                20.6115
  Dep-P Fr= 1--      0.6593                 0.2051                 0.3554
  Dep-U Fr= 1--      0.7947                 0.3404                 0.5244
 Alpha2 Fr= 1--      0.0042                 0.0679                 0.1778
 Beta2  Fr= 1--      0.3405                 0.2875                 1.8013
 AlphaG Fr= 1--     -0.0232                -0.0624                 0.0612
 Gamma2 Fr= 1--      0.6954                -2.0017                -2.3624
 Delta2 Fr= 1--      2.3364                -1.0997                -1.5680
 Raman1 Fr= 1--      10.282                 20.270                 82.446
 ROA1   Fr= 1--     141.524               -227.356               -276.970
 CID1   Fr= 1--      13.764                -11.216                 -3.359
 Raman2 Fr= 1--       4.086                  3.450                 21.616
 ROA2   Fr= 1--      -2.002                -39.244                -44.154
 CID2   Fr= 1--      -0.490                -11.375                 -2.043
 Raman3 Fr= 1--       8.171                  6.900                 43.232
 ROA3   Fr= 1--     141.524               -227.356               -276.970
 CID3   Fr= 1--      17.320                -32.949                 -6.407
 RC180  Fr= 1--       0.589                 -0.319                  0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.06     0.01  -0.01   0.03     0.01   0.02  -0.00
     2   6     0.01  -0.01   0.07    -0.01  -0.00  -0.04    -0.03  -0.06   0.00
     3   6    -0.03   0.02  -0.02     0.02   0.01  -0.01    -0.01   0.00   0.00
     4   6     0.02  -0.05   0.05    -0.01  -0.03  -0.01     0.02  -0.00   0.01
     5   6     0.03   0.03  -0.05    -0.02   0.01   0.00     0.03   0.00  -0.02
     6   6    -0.04   0.02  -0.04     0.00  -0.01   0.03    -0.02   0.02  -0.01
     7   6     0.01  -0.00   0.06    -0.02   0.02  -0.08     0.02   0.10   0.05
     8   6    -0.03   0.01  -0.07     0.05  -0.02   0.08     0.18  -0.15  -0.04
     9   6     0.01   0.00   0.05    -0.02   0.00  -0.06    -0.07   0.05  -0.05
    10   6     0.02  -0.01   0.03    -0.03   0.01  -0.02    -0.08   0.07   0.09
    11   6     0.05   0.07   0.15     0.03   0.07   0.15    -0.01  -0.01  -0.02
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.01  -0.00
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    14   8     0.01  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.01
    15   1     0.14   0.01  -0.01     0.06  -0.04   0.04     0.12  -0.08   0.02
    16   1    -0.22  -0.05   0.08     0.13  -0.00  -0.09    -0.12  -0.02   0.07
    17   1     0.18  -0.05  -0.01    -0.13  -0.02  -0.05     0.14  -0.02   0.02
    18   1    -0.21  -0.00   0.07    -0.03  -0.02   0.05    -0.11  -0.05   0.03
    19   1    -0.36  -0.03  -0.04     0.39  -0.01   0.03    -0.12  -0.09   0.01
    20   1     0.36   0.12  -0.00    -0.42  -0.10   0.03    -0.19  -0.01   0.01
    21   1    -0.19  -0.17  -0.11     0.21   0.14   0.13     0.21  -0.48  -0.04
    22   1    -0.01  -0.07  -0.06     0.01   0.10   0.07    -0.04   0.29  -0.11
    23   1     0.01  -0.20   0.03    -0.01   0.23  -0.04     0.07   0.13  -0.02
    24   1    -0.03   0.12  -0.10     0.04  -0.14   0.12     0.11  -0.08  -0.01
    25   1    -0.10   0.02  -0.02     0.09  -0.02   0.02    -0.43  -0.09  -0.03
    26   1     0.10  -0.02  -0.06    -0.12   0.02   0.06    -0.23  -0.08  -0.12
    27   1     0.07   0.01  -0.06    -0.07  -0.02   0.06     0.23  -0.04  -0.08
    28   1    -0.16   0.07   0.10    -0.13   0.04   0.11    -0.01  -0.00  -0.02
    29   6    -0.00  -0.02  -0.12     0.02  -0.02  -0.11    -0.00   0.01   0.02
    30   1    -0.00  -0.01   0.08     0.00  -0.01   0.11    -0.00   0.01  -0.05
    31   1    -0.27  -0.24  -0.24    -0.28  -0.21  -0.23     0.04   0.03   0.03
    32   1     0.05   0.01   0.18     0.08   0.06   0.24    -0.02  -0.02  -0.04
    33   1    -0.10  -0.04   0.09    -0.14  -0.06   0.08     0.03   0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1152.6767              1186.8430              1193.8634
 Red. masses --      1.3963                 2.0797                 1.7720
 Frc consts  --      1.0931                 1.7260                 1.4881
 IR Inten    --      0.9080               139.9553                 9.5501
 RamAct Fr= 1--      0.2662                 7.3003                 2.1181
  Dep-P Fr= 1--      0.7372                 0.2365                 0.6277
  Dep-U Fr= 1--      0.8487                 0.3825                 0.7713
 Alpha2 Fr= 1--      0.0001                 0.0898                 0.0047
 Beta2  Fr= 1--      0.0377                 0.4654                 0.2723
 AlphaG Fr= 1--     -0.0012                -0.0672                 0.0023
 Gamma2 Fr= 1--      0.7477                 0.8179                -1.5629
 Delta2 Fr= 1--      0.3404                 0.4339                 0.5734
 Raman1 Fr= 1--       1.065                 29.201                  8.472
 ROA1   Fr= 1--      82.675                 92.406               -131.688
 CID1   Fr= 1--      77.634                  3.164                -15.543
 Raman2 Fr= 1--       0.452                  5.585                  3.267
 ROA2   Fr= 1--      15.222                 16.159                -42.096
 CID2   Fr= 1--      33.684                  2.893                -12.884
 Raman3 Fr= 1--       0.904                 11.169                  6.535
 ROA3   Fr= 1--      82.675                 92.406               -131.688
 CID3   Fr= 1--      91.475                  8.273                -20.152
 RC180  Fr= 1--       0.697                 -0.235                  0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00   0.01     0.04   0.01  -0.03    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.02  -0.00  -0.01     0.01  -0.00   0.01
     3   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.00  -0.00  -0.00
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.02     0.01  -0.00   0.00
     5   6    -0.07   0.00   0.02     0.01  -0.01   0.03    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.01     0.02  -0.01   0.02     0.00   0.00  -0.01
     7   6     0.01   0.01   0.06    -0.01   0.00   0.00    -0.02  -0.04  -0.05
     8   6     0.02  -0.03  -0.05     0.01   0.00  -0.00     0.12   0.15  -0.02
     9   6    -0.01   0.01   0.02    -0.01  -0.00   0.00    -0.10  -0.06   0.04
    10   6    -0.01   0.01   0.03    -0.00  -0.00   0.01    -0.05  -0.10   0.05
    11   6     0.00   0.02   0.04    -0.03   0.12  -0.07     0.00  -0.00   0.00
    12   6     0.00  -0.01   0.01     0.04  -0.10   0.10    -0.00   0.00  -0.00
    13   8    -0.00   0.00   0.01    -0.01   0.04   0.05     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.02     0.00  -0.00  -0.14    -0.00   0.00   0.01
    15   1    -0.42   0.07  -0.13     0.11  -0.01  -0.00    -0.02   0.02  -0.01
    16   1     0.37   0.04  -0.19    -0.06  -0.03  -0.00    -0.02  -0.00   0.01
    17   1    -0.38   0.05  -0.10     0.25  -0.08   0.12    -0.02   0.01  -0.01
    18   1     0.45   0.04  -0.25    -0.03  -0.02   0.05     0.02   0.01  -0.02
    19   1    -0.18   0.03   0.01    -0.05  -0.01  -0.01    -0.19  -0.17  -0.10
    20   1     0.13   0.02  -0.04    -0.02  -0.00  -0.00     0.04   0.01  -0.01
    21   1    -0.03  -0.14  -0.07     0.02   0.01  -0.00     0.28   0.33   0.03
    22   1    -0.01   0.02  -0.06    -0.00   0.02  -0.01    -0.05   0.33  -0.11
    23   1     0.02  -0.09   0.02     0.01  -0.01   0.01     0.26  -0.15   0.11
    24   1     0.01   0.05  -0.06     0.01  -0.01  -0.00     0.23  -0.25   0.03
    25   1    -0.14  -0.01  -0.01    -0.02   0.01  -0.00    -0.23   0.22  -0.00
    26   1    -0.00  -0.03  -0.06     0.01  -0.00  -0.01     0.34   0.01  -0.03
    27   1     0.09  -0.00  -0.05    -0.00   0.01  -0.01    -0.26   0.15  -0.10
    28   1     0.02  -0.00   0.03     0.20   0.14  -0.01    -0.02  -0.00  -0.00
    29   6     0.01  -0.01  -0.03     0.03  -0.07   0.01    -0.00   0.00   0.00
    30   1     0.00  -0.01   0.11     0.02  -0.11   0.75    -0.00   0.00  -0.03
    31   1    -0.07  -0.03  -0.05    -0.02   0.19   0.09     0.00  -0.01  -0.00
    32   1     0.03   0.03   0.08     0.05   0.22   0.02    -0.00  -0.01  -0.00
    33   1    -0.05  -0.03   0.01    -0.14  -0.12  -0.19     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1197              1221.2546              1237.0447
 Red. masses --      1.2992                 2.1025                 2.3291
 Frc consts  --      1.1265                 1.8475                 2.0999
 IR Inten    --      4.1673                 9.8177                 1.9744
 RamAct Fr= 1--     46.5509                26.0192                29.2662
  Dep-P Fr= 1--      0.1020                 0.1683                 0.1275
  Dep-U Fr= 1--      0.1852                 0.2882                 0.2262
 Alpha2 Fr= 1--      0.8110                 0.3838                 0.4787
 Beta2  Fr= 1--      1.4366                 1.2496                 1.1032
 AlphaG Fr= 1--      0.2391                 0.1492                 0.0568
 Gamma2 Fr= 1--     -2.4874                -0.0665                 0.8910
 Delta2 Fr= 1--     -0.5968                -0.0540                -0.4614
 Raman1 Fr= 1--     186.204                104.077                117.065
 ROA1   Fr= 1--    -257.885                 -8.108                 70.776
 CID1   Fr= 1--      -1.385                 -0.078                  0.605
 Raman2 Fr= 1--      17.239                 14.996                 13.239
 ROA2   Fr= 1--     -54.923                 -1.163                 25.076
 CID2   Fr= 1--      -3.186                 -0.078                  1.894
 Raman3 Fr= 1--      34.479                 29.991                 26.477
 ROA3   Fr= 1--    -257.885                 -8.108                 70.776
 CID3   Fr= 1--      -7.480                 -0.270                  2.673
 RC180  Fr= 1--      -0.630                 -0.424                 -0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.03     0.04   0.00  -0.01
     2   6     0.05  -0.00  -0.01    -0.03   0.00   0.02     0.28  -0.04  -0.01
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.02  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.01     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.02    -0.08  -0.01   0.05
     6   6    -0.01  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.07
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.05  -0.01   0.01    -0.11   0.02  -0.02     0.01  -0.00  -0.00
    12   6    -0.01   0.01  -0.01     0.01  -0.02   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.38   0.10  -0.19    -0.50   0.08  -0.12    -0.28   0.07  -0.15
    16   1     0.39   0.08  -0.29     0.21   0.02  -0.11    -0.33  -0.02   0.12
    17   1     0.48  -0.11   0.23     0.04   0.00  -0.04    -0.42   0.06  -0.08
    18   1    -0.31  -0.07   0.26    -0.43  -0.03   0.21    -0.14  -0.03   0.12
    19   1    -0.07  -0.00  -0.00     0.01  -0.02  -0.01    -0.51  -0.20  -0.08
    20   1    -0.04  -0.01   0.00     0.06   0.03   0.03    -0.23  -0.01   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00  -0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.02  -0.02   0.05
    28   1     0.19  -0.05   0.02    -0.47   0.12  -0.05    -0.12   0.03  -0.02
    29   6    -0.02   0.01  -0.02     0.03  -0.02   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.13     0.00  -0.04   0.23    -0.00   0.00  -0.01
    31   1     0.02  -0.05  -0.03    -0.03   0.09   0.06     0.01   0.01   0.01
    32   1    -0.01  -0.05   0.01     0.02   0.08   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.08  -0.05  -0.07     0.01   0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.9938              1297.6698              1318.8742
 Red. masses --      1.5924                 2.0473                 1.3479
 Frc consts  --      1.4636                 2.0313                 1.3813
 IR Inten    --      1.2743                 0.8301                 1.2815
 RamAct Fr= 1--      5.6663                 3.6627                19.7010
  Dep-P Fr= 1--      0.5412                 0.1860                 0.2929
  Dep-U Fr= 1--      0.7023                 0.3137                 0.4531
 Alpha2 Fr= 1--      0.0227                 0.0516                 0.2063
 Beta2  Fr= 1--      0.6633                 0.1915                 1.4879
 AlphaG Fr= 1--     -0.0284                 0.0073                -0.0385
 Gamma2 Fr= 1--     -2.5611                 1.4477                -2.6197
 Delta2 Fr= 1--      0.1268                -0.1345                 0.4959
 Raman1 Fr= 1--      22.665                 14.651                 78.804
 ROA1   Fr= 1--    -241.813                134.670               -235.624
 CID1   Fr= 1--     -10.669                  9.192                 -2.990
 Raman2 Fr= 1--       7.959                  2.298                 17.855
 ROA2   Fr= 1--     -62.482                 35.820                -66.840
 CID2   Fr= 1--      -7.850                 15.590                 -3.744
 Raman3 Fr= 1--      15.919                  4.595                 35.710
 ROA3   Fr= 1--    -241.813                134.670               -235.624
 CID3   Fr= 1--     -15.191                 29.306                 -6.598
 RC180  Fr= 1--       0.405                 -0.373                 -0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.04    -0.04   0.02  -0.05     0.02  -0.01   0.01
     2   6    -0.06  -0.00   0.08    -0.00  -0.02   0.04     0.05   0.03  -0.02
     3   6     0.03  -0.00  -0.00     0.02   0.01  -0.05    -0.02   0.00  -0.00
     4   6    -0.04  -0.01   0.03    -0.06  -0.04   0.17    -0.00   0.00  -0.00
     5   6    -0.01   0.01  -0.03    -0.05   0.02  -0.05    -0.00  -0.01   0.02
     6   6     0.01   0.00  -0.02     0.06   0.01  -0.03     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.06     0.00   0.00  -0.00    -0.11  -0.05  -0.03
     8   6     0.01   0.00   0.14     0.00  -0.00  -0.01    -0.05  -0.02  -0.04
     9   6    -0.00  -0.02  -0.09    -0.00   0.00   0.01     0.02  -0.00  -0.01
    10   6    -0.01  -0.00  -0.04     0.00  -0.00   0.00    -0.00   0.02   0.06
    11   6     0.02  -0.00  -0.01     0.16  -0.05  -0.05     0.01  -0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00   0.02   0.04    -0.00   0.00   0.00
    14   8     0.00   0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.02     0.28  -0.05   0.07    -0.00   0.02   0.01
    16   1     0.05   0.01  -0.02     0.28   0.06  -0.23    -0.00   0.01  -0.02
    17   1     0.13  -0.01   0.03    -0.17   0.06  -0.10    -0.10   0.02  -0.02
    18   1     0.20   0.05  -0.15    -0.11  -0.02   0.08    -0.08  -0.00   0.06
    19   1    -0.31  -0.30  -0.14     0.12   0.04   0.02     0.29   0.23   0.07
    20   1     0.47   0.28   0.18    -0.13  -0.06  -0.03     0.45   0.29   0.19
    21   1     0.09  -0.23   0.16    -0.05   0.07  -0.03     0.61  -0.06   0.14
    22   1     0.03   0.06   0.16    -0.01  -0.00  -0.02     0.01  -0.01  -0.01
    23   1    -0.05   0.31  -0.07     0.01  -0.04   0.01    -0.06   0.07  -0.03
    24   1    -0.03  -0.14   0.15     0.01   0.02  -0.02    -0.04   0.02   0.00
    25   1     0.14  -0.01   0.01     0.00   0.00  -0.00    -0.14  -0.02   0.01
    26   1    -0.05   0.05   0.11    -0.00  -0.00  -0.01     0.06  -0.04  -0.11
    27   1    -0.08  -0.04   0.10    -0.00   0.01  -0.01     0.16  -0.00  -0.08
    28   1     0.05   0.00  -0.00    -0.58   0.29  -0.07    -0.06   0.03  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.23     0.00  -0.00   0.02
    31   1     0.02   0.00   0.01     0.18  -0.01   0.07     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.01    -0.08  -0.10  -0.11    -0.00  -0.01  -0.01
    33   1     0.02   0.01   0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0052              1346.0835              1352.6889
 Red. masses --      1.8151                 1.7080                 1.8224
 Frc consts  --      1.9232                 1.8234                 1.9647
 IR Inten    --      4.5809                18.4799                11.9520
 RamAct Fr= 1--      7.2363                 3.7890                 3.7859
  Dep-P Fr= 1--      0.6285                 0.7101                 0.6938
  Dep-U Fr= 1--      0.7719                 0.8305                 0.8192
 Alpha2 Fr= 1--      0.0160                 0.0026                 0.0037
 Beta2  Fr= 1--      0.9309                 0.5244                 0.5169
 AlphaG Fr= 1--      0.0950                 0.0228                 0.0297
 Gamma2 Fr= 1--      0.4937                 3.1405                 3.3897
 Delta2 Fr= 1--     -0.7205                 2.5490                 1.4589
 Raman1 Fr= 1--      28.945                 15.156                 15.144
 ROA1   Fr= 1--      24.340                383.058                372.098
 CID1   Fr= 1--       0.841                 25.274                 24.571
 Raman2 Fr= 1--      11.171                  6.293                  6.203
 ROA2   Fr= 1--      17.614                 54.981                 69.683
 CID2   Fr= 1--       1.577                  8.736                 11.233
 Raman3 Fr= 1--      22.343                 12.587                 12.406
 ROA3   Fr= 1--      24.340                383.058                372.098
 CID3   Fr= 1--       1.089                 30.433                 29.993
 RC180  Fr= 1--       0.544                  0.661                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.02    -0.03   0.01  -0.01    -0.03   0.01  -0.02
     2   6    -0.01   0.02  -0.05     0.01  -0.03   0.08     0.02  -0.05   0.13
     3   6    -0.04  -0.01   0.03     0.05   0.01  -0.04     0.06   0.01  -0.05
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.03     0.01  -0.00   0.01
     5   6     0.04  -0.01   0.02    -0.06   0.01  -0.02    -0.08   0.02  -0.03
     6   6    -0.04  -0.01   0.03     0.03   0.01  -0.02     0.03   0.01  -0.03
     7   6     0.01  -0.00   0.01    -0.00   0.01  -0.02     0.01   0.03  -0.04
     8   6     0.01   0.01   0.01    -0.02  -0.03  -0.01    -0.03  -0.07  -0.02
     9   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.01   0.03
    10   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.02   0.01
    11   6    -0.01  -0.16  -0.03    -0.04  -0.04  -0.04    -0.01  -0.02   0.02
    12   6    -0.03   0.07  -0.08     0.03  -0.13   0.11    -0.02   0.12  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02     0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.05   0.00
    15   1    -0.05   0.01  -0.02    -0.12   0.02  -0.05    -0.24   0.05  -0.10
    16   1    -0.01   0.01   0.02    -0.17  -0.04   0.11    -0.31  -0.04   0.21
    17   1    -0.01   0.03   0.01     0.19  -0.03   0.08     0.31  -0.07   0.12
    18   1     0.05   0.01  -0.04     0.08   0.01  -0.06     0.19   0.03  -0.14
    19   1    -0.10  -0.02  -0.02     0.14   0.01   0.01     0.14  -0.05  -0.00
    20   1     0.04   0.00  -0.01    -0.09  -0.01   0.02    -0.14  -0.01   0.02
    21   1    -0.05  -0.09  -0.01     0.09   0.19   0.02     0.18   0.41   0.05
    22   1     0.00   0.00   0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.07
    23   1     0.00   0.02  -0.00    -0.02  -0.03   0.01    -0.03  -0.07   0.01
    24   1     0.00  -0.02   0.02    -0.01   0.03  -0.02    -0.01   0.06  -0.04
    25   1     0.01   0.01  -0.00    -0.02  -0.02   0.00    -0.03  -0.06   0.00
    26   1     0.00   0.01   0.02    -0.01  -0.01  -0.03    -0.02  -0.02  -0.05
    27   1    -0.02  -0.00   0.01     0.03  -0.00  -0.01     0.05  -0.01  -0.00
    28   1     0.07   0.70   0.33     0.13   0.64   0.27     0.15  -0.24  -0.04
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.44     0.01  -0.08   0.40
    31   1    -0.01  -0.19  -0.13    -0.04   0.00  -0.05    -0.04  -0.09  -0.03
    32   1     0.04  -0.14   0.13     0.05   0.03   0.12    -0.02  -0.07  -0.08
    33   1     0.01   0.07   0.12     0.02   0.03   0.15    -0.05  -0.01  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1369.4754              1372.5348              1376.9173
 Red. masses --      1.6280                 1.4804                 1.2994
 Frc consts  --      1.7989                 1.6432                 1.4514
 IR Inten    --      3.3975                 1.0416                 1.3827
 RamAct Fr= 1--     11.0900                 1.8614                11.6999
  Dep-P Fr= 1--      0.4498                 0.1886                 0.4759
  Dep-U Fr= 1--      0.6205                 0.3174                 0.6449
 Alpha2 Fr= 1--      0.0680                 0.0260                 0.0644
 Beta2  Fr= 1--      1.1468                 0.0985                 1.2575
 AlphaG Fr= 1--      0.0788                 0.0881                 0.0974
 Gamma2 Fr= 1--      0.9723                 0.3439                 0.8924
 Delta2 Fr= 1--     -1.7965                 0.0067                -0.5551
 Raman1 Fr= 1--      44.360                  7.446                 46.800
 ROA1   Fr= 1--      35.854                 33.231                 67.910
 CID1   Fr= 1--       0.808                  4.463                  1.451
 Raman2 Fr= 1--      13.762                  1.182                 15.090
 ROA2   Fr= 1--      37.708                  8.200                 25.859
 CID2   Fr= 1--       2.740                  6.939                  1.714
 Raman3 Fr= 1--      27.524                  2.363                 30.181
 ROA3   Fr= 1--      35.854                 33.231                 67.910
 CID3   Fr= 1--       1.303                 14.061                  2.250
 RC180  Fr= 1--       0.241                 -0.365                  0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.03   0.01  -0.01    -0.05   0.01  -0.02
     2   6     0.03  -0.00   0.03    -0.02  -0.01   0.01    -0.01   0.01  -0.04
     3   6     0.05   0.00  -0.03     0.02   0.00  -0.01    -0.00  -0.00   0.01
     4   6     0.02  -0.02   0.06     0.00  -0.01   0.02     0.02  -0.02   0.06
     5   6    -0.06   0.01  -0.00    -0.02   0.00  -0.01     0.01  -0.01   0.01
     6   6     0.08   0.01  -0.05     0.02   0.00  -0.01     0.04   0.01  -0.03
     7   6    -0.08  -0.05   0.01     0.08   0.01   0.02     0.04   0.03  -0.00
     8   6     0.08   0.07   0.00    -0.12   0.11  -0.03    -0.03  -0.08   0.01
     9   6    -0.02  -0.02  -0.01     0.03   0.00  -0.04     0.01   0.01   0.02
    10   6    -0.01  -0.01  -0.01     0.01  -0.03   0.04     0.01   0.02   0.00
    11   6    -0.07  -0.01  -0.01    -0.02  -0.00  -0.00    -0.06  -0.00  -0.01
    12   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.00   0.02  -0.01
    13   8    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.17  -0.03   0.09     0.06  -0.02   0.02     0.29  -0.07   0.12
    16   1    -0.01  -0.00   0.02     0.01  -0.00   0.00     0.22   0.03  -0.14
    17   1    -0.07   0.01  -0.00     0.02  -0.00   0.01    -0.26   0.06  -0.09
    18   1    -0.19  -0.02   0.15    -0.03  -0.02   0.02    -0.28  -0.05   0.18
    19   1     0.31   0.31   0.11    -0.13  -0.08  -0.03    -0.27  -0.24  -0.09
    20   1     0.06   0.04   0.07    -0.37  -0.24  -0.14     0.09   0.04  -0.03
    21   1    -0.35  -0.41  -0.13     0.52  -0.50   0.13     0.17   0.44   0.08
    22   1     0.00   0.06   0.04     0.02  -0.18   0.13    -0.01   0.01  -0.06
    23   1     0.08   0.08   0.02    -0.05  -0.06  -0.06    -0.05  -0.04   0.00
    24   1     0.04  -0.04  -0.03    -0.02  -0.11   0.17    -0.03   0.06  -0.02
    25   1     0.05   0.07   0.01    -0.02   0.09   0.03    -0.04  -0.08  -0.01
    26   1     0.01   0.03   0.05     0.14  -0.02  -0.05    -0.03  -0.02  -0.03
    27   1    -0.04   0.01  -0.02     0.06   0.05  -0.12     0.01  -0.02   0.05
    28   1     0.49  -0.04   0.10     0.13  -0.01   0.02     0.43  -0.02   0.09
    29   6     0.02   0.02  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.02
    30   1     0.00  -0.02   0.10     0.00  -0.00   0.02     0.00  -0.01   0.03
    31   1    -0.07  -0.04  -0.05    -0.02  -0.01  -0.01    -0.04   0.01  -0.02
    32   1     0.02  -0.02   0.02     0.01  -0.00   0.00     0.03   0.00   0.06
    33   1    -0.06  -0.01   0.03    -0.01  -0.00   0.01    -0.03  -0.00   0.07
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.5653              1417.9376              1423.1953
 Red. masses --      1.2572                 1.2303                 1.2351
 Frc consts  --      1.4592                 1.4574                 1.4739
 IR Inten    --      5.4133                 3.6217                 6.4352
 RamAct Fr= 1--      0.0706                 1.0824                 1.6305
  Dep-P Fr= 1--      0.4818                 0.6422                 0.4027
  Dep-U Fr= 1--      0.6503                 0.7821                 0.5742
 Alpha2 Fr= 1--      0.0004                 0.0021                 0.0120
 Beta2  Fr= 1--      0.0077                 0.1411                 0.1560
 AlphaG Fr= 1--      0.0015                -0.0033                 0.0028
 Gamma2 Fr= 1--     -0.0542                -0.0945                -0.0338
 Delta2 Fr= 1--     -0.0006                 0.0123                -0.1499
 Raman1 Fr= 1--       0.282                  4.330                  6.522
 ROA1   Fr= 1--      -5.222                 -8.682                 -8.044
 CID1   Fr= 1--     -18.492                 -2.005                 -1.233
 Raman2 Fr= 1--       0.092                  1.693                  1.872
 ROA2   Fr= 1--      -1.296                 -2.367                  0.387
 CID2   Fr= 1--     -14.119                 -1.398                  0.206
 Raman3 Fr= 1--       0.184                  3.386                  3.745
 ROA3   Fr= 1--      -5.222                 -8.682                 -8.044
 CID3   Fr= 1--     -28.435                 -2.564                 -2.148
 RC180  Fr= 1--       0.301                  0.564                  0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.08  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02  -0.00    -0.00  -0.00   0.00    -0.09   0.00   0.01
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.01   0.03  -0.03     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.05  -0.01   0.02     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.01   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.03   0.02   0.00    -0.07   0.00  -0.02
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.01    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.01  -0.00
    22   1    -0.06  -0.33   0.16     0.00   0.01  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34   0.00    -0.00   0.01   0.00    -0.15   0.40   0.02
    24   1     0.20  -0.23   0.20    -0.00   0.00  -0.01    -0.19   0.26  -0.27
    25   1     0.41  -0.09   0.15     0.00   0.00   0.00     0.36  -0.02   0.14
    26   1     0.39   0.12  -0.10    -0.00  -0.00  -0.00     0.35   0.09  -0.09
    27   1     0.36  -0.21  -0.09     0.00   0.00  -0.00     0.32  -0.15  -0.14
    28   1     0.01   0.00   0.00     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.02   0.08     0.00   0.00  -0.00
    31   1     0.00   0.01   0.00     0.33   0.43   0.18    -0.00  -0.01  -0.00
    32   1     0.00   0.00   0.01     0.06   0.35   0.43    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.01     0.37   0.10   0.43    -0.00  -0.00  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.2610              1485.6214              1490.3292
 Red. masses --      2.4503                 1.0755                 1.0468
 Frc consts  --      3.0785                 1.3985                 1.3698
 IR Inten    --      5.9070                 0.4703                 1.8476
 RamAct Fr= 1--      0.5002                 1.5606                10.7343
  Dep-P Fr= 1--      0.6539                 0.6357                 0.7157
  Dep-U Fr= 1--      0.7908                 0.7773                 0.8343
 Alpha2 Fr= 1--      0.0009                 0.0032                 0.0064
 Beta2  Fr= 1--      0.0659                 0.2022                 1.4926
 AlphaG Fr= 1--      0.0114                 0.0306                -0.0122
 Gamma2 Fr= 1--     -2.3471                 1.1425                 2.0782
 Delta2 Fr= 1--      1.2441                -0.2593                -0.4656
 Raman1 Fr= 1--       2.001                  6.242                 42.937
 ROA1   Fr= 1--    -185.514                101.378                184.608
 CID1   Fr= 1--     -92.715                 16.240                  4.299
 Raman2 Fr= 1--       0.791                  2.426                 17.911
 ROA2   Fr= 1--     -66.285                 29.494                 53.602
 CID2   Fr= 1--     -83.786                 12.157                  2.993
 Raman3 Fr= 1--       1.582                  4.852                 35.823
 ROA3   Fr= 1--    -185.514                101.378                184.608
 CID3   Fr= 1--    -117.248                 20.894                  5.153
 RC180  Fr= 1--       0.582                  0.555                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.01   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04    -0.05   0.03   0.02     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00     0.02  -0.01  -0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00     0.03   0.01   0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00    -0.01  -0.03  -0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.28   0.10  -0.22    -0.02   0.00  -0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.30     0.00   0.00  -0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02     0.25  -0.37   0.08    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09     0.20  -0.06  -0.39    -0.09   0.03   0.18
    21   1    -0.01  -0.03  -0.01    -0.03  -0.01  -0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03     0.02   0.13  -0.21    -0.07  -0.26  -0.35
    23   1    -0.02   0.01  -0.00    -0.32  -0.16  -0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.00    -0.11  -0.07   0.24     0.33  -0.11  -0.12
    25   1     0.02   0.04   0.01     0.02   0.40   0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00    -0.10   0.08   0.28     0.12   0.24   0.42
    27   1    -0.01   0.03  -0.05     0.19  -0.04  -0.17     0.16  -0.29   0.25
    28   1     0.39  -0.04   0.03     0.01  -0.00   0.00    -0.01   0.00  -0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    31   1    -0.06  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.04  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7550              1497.7360              1501.8444
 Red. masses --      1.0458                 1.0766                 1.0532
 Frc consts  --      1.3785                 1.4228                 1.3996
 IR Inten    --      5.5473                 3.0687                11.4593
 RamAct Fr= 1--      5.3813                 3.1759                 5.4859
  Dep-P Fr= 1--      0.6538                 0.7257                 0.6509
  Dep-U Fr= 1--      0.7907                 0.8410                 0.7885
 Alpha2 Fr= 1--      0.0093                 0.0013                 0.0098
 Beta2  Fr= 1--      0.7092                 0.4452                 0.7210
 AlphaG Fr= 1--      0.0278                 0.0051                 0.0756
 Gamma2 Fr= 1--      0.0913                -0.0438                 1.6638
 Delta2 Fr= 1--     -0.8840                -0.9468                 1.5791
 Raman1 Fr= 1--      21.525                 12.704                 21.944
 ROA1   Fr= 1--     -19.526                -34.500                210.253
 CID1   Fr= 1--      -0.907                 -2.716                  9.582
 Raman2 Fr= 1--       8.510                  5.342                  8.652
 ROA2   Fr= 1--       9.263                  6.523                 27.298
 CID2   Fr= 1--       1.089                  1.221                  3.155
 Raman3 Fr= 1--      17.020                 10.684                 17.303
 ROA3   Fr= 1--     -19.526                -34.500                210.253
 CID3   Fr= 1--      -1.147                 -3.229                 12.151
 RC180  Fr= 1--       0.581                  0.682                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.04  -0.03  -0.03    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.02   0.02  -0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00  -0.00   0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.02   0.00  -0.01     0.03  -0.00   0.02    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.02   0.00
    17   1    -0.03   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
    18   1    -0.02  -0.00   0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.01   0.01  -0.00    -0.25   0.38  -0.08     0.01  -0.00   0.00
    20   1    -0.00   0.00   0.02    -0.15   0.10   0.43    -0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.00   0.00   0.00
    22   1     0.00   0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.01   0.00
    23   1    -0.01  -0.01  -0.00    -0.31  -0.22  -0.09     0.01   0.01   0.00
    24   1    -0.01  -0.00   0.01    -0.12  -0.09   0.29     0.01   0.00  -0.01
    25   1     0.01   0.01   0.00     0.16   0.24   0.06     0.00   0.01   0.00
    26   1    -0.01  -0.00  -0.00    -0.19  -0.09  -0.02    -0.01  -0.00   0.00
    27   1     0.00   0.01  -0.01     0.04   0.16  -0.30     0.00   0.00  -0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.02
    31   1     0.06  -0.46  -0.13     0.01   0.02   0.01     0.62  -0.21   0.02
    32   1     0.01   0.50   0.06     0.00  -0.02   0.01     0.06  -0.34   0.53
    33   1     0.51   0.13  -0.47    -0.02  -0.01   0.01    -0.25  -0.07  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4219              1511.4163              1551.5079
 Red. masses --      1.0527                 1.0509                 2.4430
 Frc consts  --      1.4038                 1.4144                 3.4648
 IR Inten    --      4.7457                12.3174                27.6026
 RamAct Fr= 1--      7.5785                 0.9295                 0.2755
  Dep-P Fr= 1--      0.7328                 0.4712                 0.5251
  Dep-U Fr= 1--      0.8458                 0.6406                 0.6886
 Alpha2 Fr= 1--      0.0022                 0.0052                 0.0012
 Beta2  Fr= 1--      1.0683                 0.0992                 0.0316
 AlphaG Fr= 1--      0.0117                -0.0033                 0.0012
 Gamma2 Fr= 1--     -0.5331                -1.4015                 0.4674
 Delta2 Fr= 1--      0.2055                -0.3065                 0.4252
 Raman1 Fr= 1--      30.314                  3.718                  1.102
 ROA1   Fr= 1--     -44.605               -144.355                 58.477
 CID1   Fr= 1--      -1.471                -38.827                 53.073
 Raman2 Fr= 1--      12.819                  1.191                  0.379
 ROA2   Fr= 1--     -14.439                -31.185                  7.816
 CID2   Fr= 1--      -1.126                -26.189                 20.602
 Raman3 Fr= 1--      25.639                  2.382                  0.759
 ROA3   Fr= 1--     -44.605               -144.355                 58.477
 CID3   Fr= 1--      -1.740                -60.614                 77.068
 RC180  Fr= 1--       0.692                  0.281                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.01
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.09
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.43  -0.07   0.11
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.23
    17   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.44  -0.08   0.12
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.21
    19   1     0.03   0.05   0.00    -0.06   0.12  -0.02    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.01    -0.07   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.05   0.28  -0.08     0.07   0.22   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.06     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.34    -0.33   0.18   0.00    -0.02   0.01   0.00
    25   1    -0.19  -0.41  -0.07    -0.15   0.29  -0.06    -0.01   0.01  -0.00
    26   1     0.30   0.10  -0.05     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.18   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.02  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.04  -0.01
    32   1     0.00  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.6623              1658.0434              1809.3719
 Red. masses --      5.9639                 5.8250                 9.5562
 Frc consts  --      9.1951                 9.4350                18.4328
 IR Inten    --      0.1271                 1.8041               330.5545
 RamAct Fr= 1--      2.0462               136.6806                20.4054
  Dep-P Fr= 1--      0.5844                 0.4665                 0.1655
  Dep-U Fr= 1--      0.7377                 0.6362                 0.2840
 Alpha2 Fr= 1--      0.0063                 0.7829                 0.3032
 Beta2  Fr= 1--      0.2516                14.4930                 0.9657
 AlphaG Fr= 1--     -0.0734                 0.4948                -0.0714
 Gamma2 Fr= 1--      0.0284                 3.8799                 1.4604
 Delta2 Fr= 1--     -0.2076                -0.2801                -2.6132
 Raman1 Fr= 1--       8.185                546.722                 81.622
 ROA1   Fr= 1--      -3.921                363.504                 56.573
 CID1   Fr= 1--      -0.479                  0.665                  0.693
 Raman2 Fr= 1--       3.019                173.916                 11.589
 ROA2   Fr= 1--       2.342                 95.357                 55.954
 CID2   Fr= 1--       0.776                  0.548                  4.828
 Raman3 Fr= 1--       6.038                347.832                 23.178
 ROA3   Fr= 1--      -3.921                363.504                 56.573
 CID3   Fr= 1--      -0.649                  1.045                  2.441
 RC180  Fr= 1--       0.475                  0.272                 -0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.07  -0.18     0.30  -0.04   0.04     0.01  -0.00  -0.00
     2   6     0.03  -0.11   0.32    -0.21   0.01   0.02    -0.00   0.00   0.00
     3   6    -0.08  -0.07   0.21    -0.27  -0.01   0.10    -0.01  -0.00   0.01
     4   6    -0.03   0.11  -0.32     0.19  -0.01  -0.02     0.03  -0.00  -0.01
     5   6     0.11  -0.07   0.18    -0.29   0.04  -0.04    -0.01   0.00  -0.00
     6   6     0.08   0.06  -0.20     0.28   0.01  -0.11     0.01  -0.00  -0.00
     7   6    -0.01   0.01  -0.04     0.03  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.02    -0.14   0.41   0.55
    13   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.08  -0.24  -0.37
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.03    -0.31   0.09  -0.20    -0.00   0.00  -0.01
    16   1     0.32  -0.00  -0.05     0.26   0.07  -0.27     0.03   0.00  -0.02
    17   1    -0.29   0.01   0.03     0.29  -0.09   0.19     0.02   0.01   0.01
    18   1    -0.30   0.01   0.04    -0.26  -0.07   0.27    -0.01  -0.00   0.01
    19   1     0.24   0.01   0.03     0.01   0.01  -0.01    -0.00   0.00  -0.00
    20   1    -0.16  -0.04  -0.00     0.03   0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00   0.00   0.00
    22   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
    23   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    25   1    -0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.02   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.00  -0.01   0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.28   0.04  -0.01    -0.01  -0.00   0.00    -0.09   0.22   0.09
    29   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1    -0.00   0.00  -0.01     0.00   0.00  -0.01     0.01  -0.09   0.47
    31   1    -0.03  -0.02  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1     0.00   0.03  -0.01    -0.00   0.02   0.01     0.01   0.02   0.02
    33   1     0.02   0.00  -0.01     0.02   0.01   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8735              3018.5192              3020.4147
 Red. masses --      1.0811                 1.0505                 1.0403
 Frc consts  --      5.7474                 5.6392                 5.5918
 IR Inten    --      3.0921                 8.9936                41.7016
 RamAct Fr= 1--    136.4456                13.6796                27.3294
  Dep-P Fr= 1--      0.1809                 0.6504                 0.2708
  Dep-U Fr= 1--      0.3064                 0.7881                 0.4261
 Alpha2 Fr= 1--      1.9481                 0.0245                 0.3054
 Beta2  Fr= 1--      6.9686                 1.7969                 1.9410
 AlphaG Fr= 1--      1.0253                 0.0679                -0.1710
 Gamma2 Fr= 1--     10.2543                -4.3431                 0.8805
 Delta2 Fr= 1--      6.2278                -2.5847                -3.0513
 Raman1 Fr= 1--     545.782                 54.719                109.318
 ROA1   Fr= 1--    1183.706               -499.646                -13.118
 CID1   Fr= 1--       2.169                 -9.131                 -0.120
 Raman2 Fr= 1--      83.623                 21.563                 23.293
 ROA2   Fr= 1--     196.282                -83.555                 45.541
 CID2   Fr= 1--       2.347                 -3.875                  1.955
 Raman3 Fr= 1--     167.247                 43.126                 46.585
 ROA3   Fr= 1--    1183.706               -499.646                -13.118
 CID3   Fr= 1--       7.078                -11.586                 -0.282
 RC180  Fr= 1--      -0.387                  0.576                 -0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.07     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.06   0.01  -0.24    -0.12  -0.02   0.52     0.06   0.01  -0.26
    20   1     0.00  -0.02   0.01    -0.20   0.48  -0.22     0.09  -0.22   0.10
    21   1    -0.24  -0.02   0.90    -0.03  -0.00   0.10    -0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.03   0.01   0.00     0.28  -0.03  -0.03
    23   1     0.04   0.01  -0.18     0.02   0.00  -0.08    -0.13  -0.02   0.53
    24   1    -0.01  -0.00   0.00     0.01   0.02   0.02    -0.17  -0.26  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.41     0.11   0.01  -0.39
    26   1    -0.01   0.04  -0.01     0.08  -0.28   0.13     0.08  -0.27   0.13
    27   1    -0.02  -0.03  -0.01     0.13   0.21   0.14     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9051              3045.4339              3056.3392
 Red. masses --      1.0439                 1.0362                 1.1034
 Frc consts  --      5.6353                 5.6622                 6.0727
 IR Inten    --     48.7072                27.6740                15.4980
 RamAct Fr= 1--    403.9436               224.7143                29.1659
  Dep-P Fr= 1--      0.0093                 0.0601                 0.7149
  Dep-U Fr= 1--      0.0184                 0.1134                 0.8338
 Alpha2 Fr= 1--      8.7843                 4.3329                 0.0177
 Beta2  Fr= 1--      1.2359                 4.2475                 4.0529
 AlphaG Fr= 1--     -0.8436                -0.6523                -0.1735
 Gamma2 Fr= 1--     -1.7295                 0.1457                -0.8736
 Delta2 Fr= 1--     -0.1294                 2.5928                 1.7908
 Raman1 Fr= 1--    1615.774                898.857                116.664
 ROA1   Fr= 1--    -170.171                 96.959                -26.557
 CID1   Fr= 1--      -0.105                  0.108                 -0.228
 Raman2 Fr= 1--      14.831                 50.970                 48.635
 ROA2   Fr= 1--     -40.472                -17.245                -35.292
 CID2   Fr= 1--      -2.729                 -0.338                 -0.726
 Raman3 Fr= 1--      29.662                101.940                 97.271
 ROA3   Fr= 1--    -170.171                 96.959                -26.557
 CID3   Fr= 1--      -5.737                  0.951                 -0.273
 RC180  Fr= 1--      -0.963                 -0.773                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.06  -0.01   0.27    -0.00  -0.00   0.00    -0.16  -0.01   0.67
    20   1    -0.13   0.31  -0.14    -0.00   0.00  -0.00     0.24  -0.58   0.25
    21   1    -0.05  -0.00   0.19    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.29  -0.04  -0.03     0.00  -0.00  -0.00     0.05  -0.00  -0.00
    23   1    -0.12  -0.02   0.49    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.17  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.10  -0.01   0.32    -0.00  -0.00   0.00     0.03  -0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.05
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.00   0.00   0.00     0.68  -0.04  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.00   0.00    -0.18   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3077.9171              3084.2591              3084.3764
 Red. masses --      1.0993                 1.0860                 1.0983
 Frc consts  --      6.1361                 6.0868                 6.1562
 IR Inten    --     11.1039                 0.8001                58.2038
 RamAct Fr= 1--     22.8451                63.6842               102.5528
  Dep-P Fr= 1--      0.7430                 0.4365                 0.3038
  Dep-U Fr= 1--      0.8525                 0.6077                 0.4660
 Alpha2 Fr= 1--      0.0027                 0.4119                 1.0399
 Beta2  Fr= 1--      3.2460                 6.4500                 7.9655
 AlphaG Fr= 1--     -0.0148                 0.4495                -1.5798
 Gamma2 Fr= 1--     -9.4924               -28.6613                32.3864
 Delta2 Fr= 1--      3.2691               -23.3533                 8.6504
 Raman1 Fr= 1--      91.380                254.737                410.211
 ROA1   Fr= 1--    -806.659              -3498.794               3385.910
 CID1   Fr= 1--      -8.827                -13.735                  8.254
 Raman2 Fr= 1--      38.952                 77.401                 95.586
 ROA2   Fr= 1--    -253.970               -501.046                708.072
 CID2   Fr= 1--      -6.520                 -6.473                  7.408
 Raman3 Fr= 1--      77.904                154.801                191.172
 ROA3   Fr= 1--    -806.659              -3498.794               3385.910
 CID3   Fr= 1--     -10.354                -22.602                 17.711
 RC180  Fr= 1--       0.705                  0.215                 -0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.02
     9   6    -0.00   0.03   0.05    -0.00   0.01   0.01     0.00  -0.03  -0.05
    10   6    -0.01   0.01  -0.07     0.00  -0.01   0.01    -0.00   0.03  -0.05
    11   6     0.00   0.00  -0.00     0.02   0.03  -0.07     0.00   0.01  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.01
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    19   1    -0.01  -0.00   0.04     0.01  -0.00  -0.03    -0.02   0.00   0.11
    20   1     0.01  -0.03   0.01    -0.01   0.02  -0.01     0.03  -0.08   0.03
    21   1    -0.01   0.00   0.04     0.01   0.00  -0.05    -0.05  -0.01   0.19
    22   1     0.17  -0.02  -0.00     0.04  -0.00  -0.00    -0.16   0.02   0.00
    23   1     0.09   0.03  -0.36     0.03   0.01  -0.11    -0.10  -0.03   0.42
    24   1    -0.23  -0.36  -0.23    -0.07  -0.10  -0.06     0.25   0.39   0.24
    25   1    -0.17  -0.01   0.53     0.03  -0.00  -0.10    -0.12   0.00   0.39
    26   1     0.10  -0.34   0.14    -0.03   0.10  -0.05     0.13  -0.41   0.18
    27   1     0.17   0.27   0.16    -0.01  -0.02  -0.01     0.03   0.05   0.02
    28   1    -0.00  -0.00   0.00    -0.18  -0.34   0.86    -0.05  -0.09   0.22
    29   6     0.00  -0.00  -0.00    -0.01  -0.01   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.04   0.07  -0.18     0.01   0.02  -0.05
    32   1    -0.00   0.00   0.00     0.07  -0.01  -0.01     0.02  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.01   0.03   0.00    -0.00   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.1181              3104.1100              3106.9954
 Red. masses --      1.1013                 1.1002                 1.1021
 Frc consts  --      6.1961                 6.2461                 6.2684
 IR Inten    --     42.3266                33.0066                25.3044
 RamAct Fr= 1--    115.4793                49.9527                95.5772
  Dep-P Fr= 1--      0.6559                 0.7001                 0.7165
  Dep-U Fr= 1--      0.7922                 0.8236                 0.8348
 Alpha2 Fr= 1--      0.1945                 0.0434                 0.0553
 Beta2  Fr= 1--     15.2468                 6.8569                13.2982
 AlphaG Fr= 1--     -0.2086                -0.1336                 0.1107
 Gamma2 Fr= 1--      3.1121                -8.9841                -2.1727
 Delta2 Fr= 1--      7.5372                -0.2985                -3.8989
 Raman1 Fr= 1--     461.917                199.811                382.309
 ROA1   Fr= 1--     539.951               -872.026               -333.346
 CID1   Fr= 1--       1.169                 -4.364                 -0.872
 Raman2 Fr= 1--     182.962                 82.283                159.578
 ROA2   Fr= 1--      14.393               -213.230                -20.955
 CID2   Fr= 1--       0.079                 -2.591                 -0.131
 Raman3 Fr= 1--     365.924                164.566                319.156
 ROA3   Fr= 1--     539.951               -872.026               -333.346
 CID3   Fr= 1--       1.476                 -5.299                 -1.044
 RC180  Fr= 1--       0.584                  0.647                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00    -0.00  -0.00  -0.00
    10   6    -0.01  -0.09  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00   0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.12  -0.08     0.01  -0.00  -0.00
    23   1    -0.03  -0.01   0.13     0.02   0.00  -0.17     0.00   0.00  -0.00
    24   1     0.07   0.11   0.07     0.19   0.33   0.22     0.00   0.01   0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.16   0.48  -0.24    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    27   1     0.37   0.57   0.38     0.02   0.02   0.02     0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.05  -0.02
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.67   0.02   0.12
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.20   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.0762              3158.5428              3165.3189
 Red. masses --      1.1003                 1.0868                 1.0882
 Frc consts  --      6.3558                 6.3883                 6.4236
 IR Inten    --     15.0210                11.3620                12.9730
 RamAct Fr= 1--     26.7952                53.2195                56.5194
  Dep-P Fr= 1--      0.6460                 0.6516                 0.4649
  Dep-U Fr= 1--      0.7849                 0.7891                 0.6347
 Alpha2 Fr= 1--      0.0502                 0.0939                 0.3259
 Beta2  Fr= 1--      3.5053                 6.9990                 5.9789
 AlphaG Fr= 1--     -0.0217                 0.1319                -0.1749
 Gamma2 Fr= 1--     -0.8742                -0.1751                -0.9860
 Delta2 Fr= 1--      0.7131                -0.0042                 0.3290
 Raman1 Fr= 1--     107.181                212.878                226.078
 ROA1   Fr= 1--     -61.101                -16.940                -84.128
 CID1   Fr= 1--      -0.570                 -0.080                 -0.372
 Raman2 Fr= 1--      42.064                 83.988                 71.747
 ROA2   Fr= 1--     -26.686                 -4.169                -26.296
 CID2   Fr= 1--      -0.634                 -0.050                 -0.367
 Raman3 Fr= 1--      84.128                167.976                143.494
 ROA3   Fr= 1--     -61.101                -16.940                -84.128
 CID3   Fr= 1--      -0.726                 -0.101                 -0.586
 RC180  Fr= 1--       0.570                  0.578                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.38  -0.25   0.83
    16   1    -0.03   0.01  -0.04     0.01  -0.01   0.02    -0.17   0.10  -0.23
    17   1     0.01   0.01  -0.02     0.22   0.14  -0.48    -0.02  -0.01   0.04
    18   1     0.00  -0.00   0.01     0.47  -0.26   0.63     0.03  -0.02   0.04
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.04  -0.07   0.19     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.29   0.80     0.00   0.00  -0.01     0.00   0.01  -0.02
    32   1    -0.20   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.13  -0.38   0.01    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3176.9931              3193.5886              3727.7420
 Red. masses --      1.0936                 1.0922                 1.0641
 Frc consts  --      6.5033                 6.5629                 8.7118
 IR Inten    --     13.4159                 5.7781                67.2085
 RamAct Fr= 1--    130.7161               100.5030               118.9008
  Dep-P Fr= 1--      0.1468                 0.1541                 0.2402
  Dep-U Fr= 1--      0.2560                 0.2670                 0.3873
 Alpha2 Fr= 1--      2.0371                 1.5376                 1.4483
 Beta2  Fr= 1--      5.5782                 4.4728                 7.6750
 AlphaG Fr= 1--     -0.2030                 0.0266                -0.0651
 Gamma2 Fr= 1--     -0.1022                 1.3783                 3.9680
 Delta2 Fr= 1--     -0.4038                 1.0701                -0.7784
 Raman1 Fr= 1--     522.864                402.012                475.603
 ROA1   Fr= 1--     -22.734                166.562                356.022
 CID1   Fr= 1--      -0.043                  0.414                  0.749
 Raman2 Fr= 1--      66.939                 53.673                 92.101
 ROA2   Fr= 1--       0.777                 24.519                101.461
 CID2   Fr= 1--       0.012                  0.457                  1.102
 Raman3 Fr= 1--     133.877                107.347                184.201
 ROA3   Fr= 1--     -22.734                166.562                356.022
 CID3   Fr= 1--      -0.170                  1.552                  1.933
 RC180  Fr= 1--      -0.488                 -0.466                 -0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.03   0.01  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06  -0.01
    15   1     0.02   0.01  -0.05    -0.13  -0.08   0.26    -0.00  -0.00   0.00
    16   1     0.04  -0.02   0.05     0.54  -0.30   0.72     0.00  -0.00  -0.00
    17   1    -0.34  -0.22   0.73     0.01   0.01  -0.03     0.00  -0.00  -0.00
    18   1     0.31  -0.17   0.41    -0.02   0.01  -0.03    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.27   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1345.734926925.358827223.32019
           X            0.99983   0.01747   0.00518
           Y           -0.01717   0.99844  -0.05315
           Z           -0.00610   0.05305   0.99857
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06436     0.01251     0.01199
 Rotational constants (GHZ):           1.34108     0.26060     0.24985
 Zero-point vibrational energy     746220.3 (Joules/Mol)
                                  178.35094 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.85    53.18    64.43    79.12    97.43
          (Kelvin)            160.08   239.92   284.71   327.17   335.90
                              359.77   366.04   427.69   458.38   497.95
                              557.48   586.06   603.26   615.26   652.98
                              795.25   835.87   871.49   914.20   953.69
                             1045.88  1083.48  1154.99  1184.48  1200.64
                             1224.94  1233.33  1255.81  1290.67  1347.41
                             1374.97  1382.58  1398.36  1401.82  1441.47
                             1503.23  1524.98  1567.38  1599.83  1638.71
                             1658.44  1707.60  1717.70  1745.41  1757.11
                             1779.83  1797.02  1867.06  1897.57  1929.41
                             1936.71  1946.22  1970.37  1974.77  1981.08
                             2019.42  2040.10  2047.66  2100.99  2137.48
                             2144.25  2152.06  2154.91  2160.82  2164.53
                             2174.59  2232.27  2327.46  2385.55  2603.28
                             4321.90  4342.98  4345.70  4355.04  4381.70
                             4397.39  4428.44  4437.56  4437.73  4445.99
                             4466.12  4470.27  4504.92  4544.44  4554.19
                             4570.98  4594.86  5363.39
 
 Zero-point correction=                           0.284220 (Hartree/Particle)
 Thermal correction to Energy=                    0.299899
 Thermal correction to Enthalpy=                  0.300843
 Thermal correction to Gibbs Free Energy=         0.239452
 Sum of electronic and zero-point Energies=           -656.738499
 Sum of electronic and thermal Energies=              -656.722821
 Sum of electronic and thermal Enthalpies=            -656.721877
 Sum of electronic and thermal Free Energies=         -656.783268
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.189             58.758            129.209
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.576
 Vibrational            186.412             52.797             54.758
 Vibration     1          0.593              1.985              6.433
 Vibration     2          0.594              1.982              5.416
 Vibration     3          0.595              1.979              5.036
 Vibration     4          0.596              1.976              4.629
 Vibration     5          0.598              1.970              4.219
 Vibration     6          0.607              1.940              3.247
 Vibration     7          0.624              1.883              2.472
 Vibration     8          0.637              1.843              2.153
 Vibration     9          0.651              1.799              1.899
 Vibration    10          0.654              1.790              1.852
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.665              1.755              1.700
 Vibration    13          0.691              1.679              1.432
 Vibration    14          0.705              1.638              1.317
 Vibration    15          0.724              1.583              1.184
 Vibration    16          0.756              1.497              1.010
 Vibration    17          0.772              1.454              0.936
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.789              1.410              0.866
 Vibration    20          0.812              1.352              0.784
 Vibration    21          0.908              1.134              0.539
 Vibration    22          0.938              1.072              0.484
 Vibration    23          0.964              1.020              0.440
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.724289-110       -110.140088       -253.606926
 Total V=0       0.390901D+21         20.592067         47.414986
 Vib (Bot)       0.211997-124       -124.673671       -287.071737
 Vib (Bot)    1  0.935804D+01          0.971185          2.236236
 Vib (Bot)    2  0.559922D+01          0.748127          1.722627
 Vib (Bot)    3  0.461871D+01          0.664520          1.530114
 Vib (Bot)    4  0.375706D+01          0.574848          1.323636
 Vib (Bot)    5  0.304671D+01          0.483831          1.114062
 Vib (Bot)    6  0.184032D+01          0.264894          0.609942
 Vib (Bot)    7  0.120981D+01          0.082718          0.190465
 Vib (Bot)    8  0.100846D+01          0.003657          0.008420
 Vib (Bot)    9  0.867141D+00         -0.061910         -0.142554
 Vib (Bot)   10  0.842360D+00         -0.074502         -0.171548
 Vib (Bot)   11  0.780497D+00         -0.107629         -0.247824
 Vib (Bot)   12  0.765533D+00         -0.116036         -0.267183
 Vib (Bot)   13  0.640757D+00         -0.193307         -0.445105
 Vib (Bot)   14  0.590544D+00         -0.228748         -0.526711
 Vib (Bot)   15  0.534438D+00         -0.272103         -0.626540
 Vib (Bot)   16  0.464178D+00         -0.333316         -0.767488
 Vib (Bot)   17  0.435213D+00         -0.361298         -0.831919
 Vib (Bot)   18  0.419010D+00         -0.377775         -0.869860
 Vib (Bot)   19  0.408205D+00         -0.389122         -0.895986
 Vib (Bot)   20  0.376671D+00         -0.424038         -0.976384
 Vib (Bot)   21  0.283181D+00         -0.547936         -1.261669
 Vib (Bot)   22  0.262043D+00         -0.581627         -1.339246
 Vib (Bot)   23  0.245067D+00         -0.610716         -1.406225
 Vib (V=0)       0.114415D+07          6.058484         13.950175
 Vib (V=0)    1  0.987139D+01          0.994378          2.289641
 Vib (V=0)    2  0.612150D+01          0.786858          1.811807
 Vib (V=0)    3  0.514569D+01          0.711444          1.638160
 Vib (V=0)    4  0.429018D+01          0.632476          1.456329
 Vib (V=0)    5  0.358746D+01          0.554787          1.277445
 Vib (V=0)    6  0.240704D+01          0.381483          0.878397
 Vib (V=0)    7  0.180906D+01          0.257454          0.592809
 Vib (V=0)    8  0.162560D+01          0.211015          0.485879
 Vib (V=0)    9  0.150097D+01          0.176371          0.406109
 Vib (V=0)   10  0.147958D+01          0.170137          0.391756
 Vib (V=0)   11  0.142692D+01          0.154399          0.355516
 Vib (V=0)   12  0.141435D+01          0.150558          0.346672
 Vib (V=0)   13  0.131275D+01          0.118183          0.272127
 Vib (V=0)   14  0.127378D+01          0.105096          0.241992
 Vib (V=0)   15  0.123186D+01          0.090563          0.208528
 Vib (V=0)   16  0.118225D+01          0.072708          0.167417
 Vib (V=0)   17  0.116288D+01          0.065535          0.150900
 Vib (V=0)   18  0.115236D+01          0.061587          0.141809
 Vib (V=0)   19  0.114547D+01          0.058984          0.135815
 Vib (V=0)   20  0.112600D+01          0.051540          0.118675
 Vib (V=0)   21  0.107462D+01          0.031256          0.071970
 Vib (V=0)   22  0.106451D+01          0.027148          0.062511
 Vib (V=0)   23  0.105683D+01          0.024004          0.055272
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.293707D+07          6.467915         14.892925
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665555444444443333333222221111100009999988888887766655444433322222111     
     2        97653009887542210                           051510099986210776544194321985318640776539755320526308552108419553296165432
     8        47591740448657094                           988214286060384739361989713473929052421667371433373561348977697403787185572
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   XXXXXXXXXXXXXXXXXX XXXXXXX   X  XXXX
     X             XXXX   XXX                             X  X                        X    X X               XXX                     
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008985    0.000000860    0.000001620
      2        6           0.000002389    0.000002016   -0.000012107
      3        6          -0.000006555   -0.000000633   -0.000000340
      4        6          -0.000003379    0.000000261    0.000004122
      5        6           0.000009691   -0.000003031    0.000000202
      6        6          -0.000008623   -0.000000901    0.000006230
      7        6          -0.000004068    0.000005765    0.000008112
      8        6           0.000004158    0.000002418   -0.000004277
      9        6          -0.000001036   -0.000007279    0.000004827
     10        6          -0.000005906   -0.000001000    0.000002659
     11        6           0.000003723    0.000002762    0.000004472
     12        6          -0.000001191    0.000008856   -0.000067306
     13        8          -0.000003477    0.000009918    0.000032308
     14        8           0.000002671   -0.000016196    0.000032381
     15        1          -0.000000145    0.000000288   -0.000000963
     16        1           0.000001719    0.000000247   -0.000000321
     17        1          -0.000002538    0.000000891    0.000000142
     18        1           0.000002154   -0.000000813   -0.000000830
     19        1           0.000001636   -0.000003298   -0.000002055
     20        1           0.000002468   -0.000001267   -0.000000118
     21        1          -0.000001488   -0.000001662    0.000001101
     22        1          -0.000000340    0.000001084   -0.000000992
     23        1           0.000000132    0.000001794   -0.000003077
     24        1           0.000001158    0.000001413    0.000000179
     25        1           0.000003162   -0.000000508   -0.000002702
     26        1           0.000000688   -0.000000749   -0.000000456
     27        1           0.000001587    0.000001090   -0.000000602
     28        1          -0.000002291    0.000000880   -0.000001536
     29        6          -0.000003898   -0.000001520    0.000002719
     30        1           0.000000031    0.000000139    0.000000675
     31        1          -0.000001302   -0.000001673   -0.000001083
     32        1          -0.000000453    0.000000258   -0.000002496
     33        1           0.000000338   -0.000000410   -0.000000488
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000067306 RMS     0.000009027
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216285D+03 -0.207863D+01 -0.547195D+00
      2  -0.207863D+01  0.135126D+03 -0.676684D+01
      3  -0.547195D+00 -0.676684D+01  0.149081D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.166566D+01 -0.744057D+01  0.221600D+02
      2   0.106775D+02 -0.786989D+01  0.302649D+02
      3  -0.104477D+03 -0.428260D+02  0.104073D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.247495D+03  0.428105D+02  0.400479D+01
      2  -0.128816D+03 -0.242852D+02  0.199062D+02
      3  -0.118679D+03 -0.185253D+02 -0.239110D+02
      4  -0.328258D+02  0.751618D+02 -0.241437D+02
      5   0.424415D+00 -0.260323D+02  0.592795D+02
      6  -0.122648D+02  0.143016D+02 -0.319775D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.126864D+02  0.228068D+00  0.929734D+00  0.571612D+01  0.204922D+01
      2   0.228068D+00  0.794502D+00  0.826709D-01  0.204922D+01  0.200424D+01
      3   0.929734D+00  0.826709D-01  0.147218D+01 -0.745110D-01 -0.284657D+01
                 6             7             8             9            10 
      1  -0.745110D-01 -0.104953D+02  0.337895D+00 -0.160628D+00  0.303725D+02
      2  -0.284657D+01  0.337895D+00 -0.120747D+01 -0.989796D+00  0.147897D+01
      3  -0.221830D+01 -0.160628D+00 -0.989796D+00 -0.183391D+01 -0.105784D+01
                11            12            13            14            15 
      1   0.147897D+01 -0.105784D+01 -0.688681D+00  0.475190D+01  0.123613D+01
      2   0.186561D+01 -0.657488D+00  0.475190D+01 -0.876978D+00 -0.172492D+00
      3  -0.657488D+00  0.276532D+01  0.123613D+01 -0.172492D+00 -0.566264D+00
                16            17            18            19            20 
      1  -0.271156D+01  0.122838D+01  0.104274D+01  0.958179D+01 -0.338116D+00
      2   0.122838D+01  0.460881D+00 -0.880014D+00 -0.338116D+00 -0.726735D+00
      3   0.104274D+01 -0.880014D+00 -0.590302D+00 -0.836810D+00 -0.324170D+00
                21            22            23            24            25 
      1  -0.836810D+00  0.409382D+01 -0.153464D+01 -0.108319D+01 -0.129463D+02
      2  -0.324170D+00 -0.153464D+01  0.217801D+01 -0.231400D+01  0.999153D-01
      3  -0.286201D+01 -0.108319D+01 -0.231400D+01 -0.139585D+01  0.531632D+00
                26            27            28            29            30 
      1   0.999153D-01  0.531632D+00 -0.281593D+02  0.209745D+00  0.892711D+00
      2  -0.101471D+01 -0.776091D+00  0.209745D+00 -0.150141D+01  0.253720D+00
      3  -0.776091D+00 -0.154120D+01  0.892711D+00  0.253720D+00 -0.268657D+01
                31            32            33            34            35 
      1   0.232396D+01 -0.500362D+01 -0.164130D+01  0.284491D+01 -0.144682D+01
      2  -0.500362D+01  0.433776D+00  0.419944D+00 -0.144682D+01  0.454973D-01
      3  -0.164130D+01  0.419944D+00 -0.133800D+00 -0.616752D+00 -0.983728D+00
                36            37            38            39            40 
      1  -0.616752D+00  0.131057D+02 -0.304776D+00 -0.103234D+01 -0.357355D+01
      2  -0.983728D+00 -0.304776D+00 -0.199383D+01  0.140254D+01 -0.158104D+01
      3   0.385711D+00 -0.103234D+01  0.140254D+01 -0.171587D+01 -0.295374D+00
                41            42            43            44            45 
      1  -0.158104D+01 -0.295374D+00  0.111242D+02 -0.161406D+01  0.281787D-01
      2  -0.265896D+01  0.259632D+01 -0.161406D+01  0.987291D+00  0.132739D+01
      3   0.259632D+01  0.189445D+01  0.281787D-01  0.132739D+01  0.179307D+01
                46            47            48            49            50 
      1  -0.962429D+01  0.207696D+00  0.698445D+00 -0.284807D+01  0.119495D+01
      2   0.207696D+00  0.161904D+01 -0.902438D+00  0.119495D+01 -0.326740D+01
      3   0.698445D+00 -0.902438D+00  0.276532D+01  0.137224D+01  0.218180D+01
                51            52            53            54            55 
      1   0.137224D+01  0.125718D+02  0.132537D+01 -0.914330D+00 -0.147701D+02
      2   0.218180D+01  0.132537D+01 -0.771215D-01  0.141090D+01 -0.209426D+01
      3   0.112223D+01 -0.914330D+00  0.141090D+01  0.930618D+00 -0.438045D+00
                56            57            58            59            60 
      1  -0.209426D+01 -0.438045D+00 -0.542803D+01 -0.708071D+01 -0.549651D+00
      2  -0.332471D+01 -0.114969D+00 -0.708071D+01  0.223632D+01 -0.171510D+01
      3  -0.114969D+00 -0.144573D+01 -0.549651D+00 -0.171510D+01  0.163554D+00
                61            62            63            64            65 
      1  -0.557273D+01 -0.124221D+01 -0.302875D+01 -0.805994D+00  0.279914D+01
      2  -0.124221D+01 -0.292378D+01  0.615291D+00  0.279914D+01  0.360568D+01
      3  -0.302875D+01  0.615291D+00  0.503321D+01 -0.664625D-01  0.372119D+00
                66            67            68            69            70 
      1  -0.664625D-01  0.105338D+02  0.620216D+01  0.778356D+00  0.530482D+01
      2   0.372119D+00  0.620216D+01 -0.133927D+01  0.210145D+01  0.131657D+01
      3   0.234367D+01  0.778356D+00  0.210145D+01  0.426076D+00  0.347851D+01
                71            72            73            74            75 
      1   0.131657D+01  0.347851D+01  0.590706D+01 -0.216764D+01 -0.100429D+01
      2   0.292934D+01  0.476341D+00 -0.216764D+01 -0.333148D+01 -0.620343D+00
      3   0.476341D+00 -0.667609D+01 -0.100429D+01 -0.620343D+00 -0.184412D+01
                76            77            78            79            80 
      1  -0.355762D+01 -0.370855D+01 -0.858914D+00 -0.195019D+01 -0.900048D+00
      2  -0.370855D+01 -0.253662D+00 -0.280412D+01 -0.900048D+00 -0.386066D+01
      3  -0.858914D+00 -0.280412D+01 -0.103058D+01 -0.256639D+01 -0.169879D+01
                81            82            83            84            85 
      1  -0.256639D+01  0.537524D+01 -0.165448D+01 -0.346161D+00 -0.342409D+01
      2  -0.169879D+01 -0.165448D+01 -0.338791D+01 -0.503500D+00 -0.521003D+01
      3   0.505649D+01 -0.346161D+00 -0.503500D+00 -0.285255D+01 -0.818308D+00
                86            87            88            89            90 
      1  -0.521003D+01 -0.818308D+00 -0.161770D+01 -0.877456D+00 -0.427947D+01
      2   0.186533D+01 -0.369044D+01 -0.877456D+00 -0.379421D+01 -0.227290D+00
      3  -0.369044D+01 -0.346648D+00 -0.427947D+01 -0.227290D+00  0.421809D+01
                91            92            93            94            95 
      1   0.476478D+01  0.184670D+01  0.170805D+01 -0.304738D+01  0.548828D+01
      2   0.184670D+01  0.164030D+01  0.341286D+00  0.548828D+01 -0.302154D+01
      3   0.170805D+01  0.341286D+00  0.150589D+01  0.146361D+01  0.472157D+00
                96            97            98            99           100 
      1   0.146361D+01  0.258499D+01  0.202853D+01  0.237237D+01  0.114176D+01
      2   0.472157D+00  0.202853D+01  0.494341D+00  0.263962D+01 -0.125419D+01
      3   0.221142D+01  0.237237D+01  0.263962D+01 -0.311767D+01 -0.161629D+01
               101           102           103           104           105 
      1  -0.125419D+01 -0.161629D+01 -0.573278D+00 -0.604533D+00  0.117806D+01
      2   0.149302D+00  0.780065D+00 -0.604533D+00  0.210677D+01 -0.161272D+01
      3   0.780065D+00  0.667005D+00  0.117806D+01 -0.161272D+01 -0.323029D+01
               106           107           108           109           110 
      1  -0.391356D+01  0.181762D+01  0.136505D+01 -0.276406D+01  0.184969D+01
      2   0.181762D+01 -0.352404D+01 -0.329634D+01  0.184969D+01 -0.101575D+01
      3   0.136505D+01 -0.329634D+01 -0.221905D+01  0.323892D+01 -0.774938D+00
               111           112           113           114           115 
      1   0.323892D+01  0.327406D+01 -0.282663D+01 -0.168003D+01  0.655953D+01
      2  -0.774938D+00 -0.282663D+01  0.480666D+01  0.374821D+01 -0.292901D+01
      3  -0.150499D+01 -0.168003D+01  0.374821D+01  0.352836D+01 -0.332137D+01
               116           117           118           119           120 
      1  -0.292901D+01 -0.332137D+01 -0.250188D+00 -0.271474D+00 -0.128678D+01
      2   0.486831D+01  0.401843D+01 -0.271474D+00  0.179043D+01 -0.192216D+00
      3   0.401843D+01  0.892333D+01 -0.128678D+01 -0.192216D+00 -0.160832D+00
               121           122           123           124           125 
      1  -0.846900D+00  0.276158D+01 -0.416424D+00 -0.366849D+01  0.835437D+00
      2   0.276158D+01 -0.617135D+01 -0.205089D+00  0.835437D+00 -0.157189D+01
      3  -0.416424D+00 -0.205089D+00 -0.386434D-01 -0.102903D+01  0.136998D+01
               126           127           128           129           130 
      1  -0.102903D+01  0.203655D+01  0.615950D+00 -0.200272D+01  0.235230D+00
      2   0.136998D+01  0.615950D+00  0.317465D+00 -0.412701D+00  0.157079D+00
      3  -0.399623D+01 -0.200272D+01 -0.412701D+00  0.215963D+01 -0.672982D+00
               131           132           133           134           135 
      1   0.157079D+00 -0.672982D+00 -0.232621D+01 -0.841677D+00  0.261677D+01
      2   0.377864D+00 -0.556587D+00 -0.841677D+00 -0.121905D+01  0.159217D+01
      3  -0.556587D+00  0.214394D+01  0.261677D+01  0.159217D+01 -0.702671D+01
               136           137           138           139           140 
      1  -0.312613D+01  0.825212D+00 -0.212701D+01  0.144838D+01 -0.659880D+00
      2   0.825212D+00 -0.814820D+00  0.562617D+00 -0.659880D+00  0.767828D+00
      3  -0.212701D+01  0.562617D+00 -0.182164D+01  0.113288D+01 -0.547641D+00
               141           142           143           144           145 
      1   0.113288D+01 -0.254092D+01  0.719820D+00 -0.260069D+01 -0.208927D+01
      2  -0.547641D+00  0.719820D+00 -0.102217D+01  0.140016D+01 -0.673087D+00
      3   0.187569D+01 -0.260069D+01  0.140016D+01 -0.472217D+01  0.200189D+01
               146           147           148           149           150 
      1  -0.673087D+00  0.200189D+01 -0.488747D+00 -0.192032D+00  0.709180D+00
      2  -0.417461D+00  0.665236D+00 -0.192032D+00 -0.583164D+00  0.766276D+00
      3   0.665236D+00 -0.217158D+01  0.709180D+00  0.766276D+00 -0.219513D+01
               151           152           153           154           155 
      1   0.207722D+01  0.971196D+00 -0.257258D+01  0.353131D+01 -0.103775D+01
      2   0.971196D+00  0.163211D+01 -0.229700D+01 -0.103775D+01  0.901547D+00
      3  -0.257258D+01 -0.229700D+01  0.705453D+01  0.247870D+01 -0.104113D+01
               156           157           158           159           160 
      1   0.247870D+01 -0.166958D+01  0.612629D+00 -0.125326D+01  0.266011D+01
      2  -0.104113D+01  0.612629D+00 -0.791658D+00  0.834905D+00 -0.118616D+01
      3   0.230754D+01 -0.125326D+01  0.834905D+00 -0.202794D+01  0.288237D+01
               161           162           163           164           165 
      1  -0.118616D+01  0.288237D+01  0.121147D+01 -0.416386D-01 -0.148330D+01
      2   0.161558D+01 -0.205916D+01 -0.416386D-01  0.771569D+00  0.294041D+00
      3  -0.205916D+01  0.513135D+01 -0.148330D+01  0.294041D+00  0.138445D+01
               166           167           168           169           170 
      1   0.157650D+01  0.117742D+01 -0.340718D-01 -0.371136D+01  0.125577D+00
      2   0.117742D+01 -0.343667D+00 -0.656970D+00  0.125577D+00 -0.118556D+01
      3  -0.340718D-01 -0.656970D+00  0.433331D-01  0.237487D+01 -0.116839D+01
               171           172           173           174           175 
      1   0.237487D+01  0.403411D+01 -0.181337D+01  0.682840D+00 -0.408476D+01
      2  -0.116839D+01 -0.181337D+01  0.224045D+01 -0.864128D-01  0.332262D+01
      3  -0.606574D+01  0.682840D+00 -0.864128D-01  0.413094D+00 -0.239419D+00
               176           177           178           179           180 
      1   0.332262D+01 -0.239419D+00  0.475825D+01 -0.417914D+00  0.107536D+01
      2  -0.637714D+01  0.894095D+00 -0.417914D+00  0.206569D+01 -0.104160D+01
      3   0.894095D+00 -0.810986D+00  0.107536D+01 -0.104160D+01  0.344266D+00
               181           182           183           184           185 
      1  -0.698263D+00 -0.696051D+00  0.125153D+01 -0.148584D+01 -0.876294D+00
      2  -0.696051D+00 -0.852386D+00 -0.762061D-01 -0.876294D+00  0.167446D+00
      3   0.125153D+01 -0.762061D-01 -0.103844D+01  0.844965D-01  0.678224D+00
               186           187           188           189           190 
      1   0.844965D-01  0.223194D+01  0.135648D+00 -0.590286D+00 -0.857039D+01
      2   0.678224D+00  0.135648D+00  0.106795D+01  0.194831D-01  0.518713D+00
      3  -0.268372D-01 -0.590286D+00  0.194831D-01  0.702366D+01  0.357392D+00
               191           192           193           194           195 
      1   0.518713D+00  0.357392D+00  0.112361D+00 -0.147482D+01  0.726648D-01
      2  -0.235827D+01  0.104137D+00 -0.147482D+01  0.576657D+00  0.319148D+00
      3   0.104137D+00 -0.667948D+00  0.726648D-01  0.319148D+00  0.350707D+00
               196           197           198           199           200 
      1   0.424277D+00 -0.923723D-01 -0.336445D+00  0.453814D+00  0.591294D+00
      2  -0.923723D-01  0.576614D+00  0.507041D+00  0.591294D+00  0.951158D+00
      3  -0.336445D+00  0.507041D+00 -0.306388D+00 -0.101915D+01 -0.324169D+00
               201           202           203           204           205 
      1  -0.101915D+01  0.272402D+00  0.575193D+00 -0.903681D-01 -0.183561D+01
      2  -0.324169D+00  0.575193D+00  0.711870D+00 -0.681050D+00 -0.538558D+00
      3   0.136337D+01 -0.903681D-01 -0.681050D+00  0.540339D+00  0.147890D+01
               206           207           208           209           210 
      1  -0.538558D+00  0.147890D+01  0.225373D+01  0.250879D+01  0.872974D+00
      2  -0.195399D+01  0.183659D+01  0.250879D+01  0.329237D+01  0.675354D+00
      3   0.183659D+01 -0.655870D+01  0.872974D+00  0.675354D+00  0.946737D+00
               211           212           213           214           215 
      1   0.230402D+01  0.318690D+01  0.819135D+00  0.180207D+01  0.142179D+01
      2   0.318690D+01  0.674061D+01  0.188301D+01  0.142179D+01  0.338779D+01
      3   0.819135D+00  0.188301D+01  0.134876D+01  0.121420D+01  0.176449D+01
               216           217           218           219           220 
      1   0.121420D+01  0.191540D+01  0.109359D+00 -0.158388D+01  0.358081D+00
      2   0.176449D+01  0.109359D+00  0.614471D+00  0.596827D-01  0.111130D+01
      3   0.111328D+01 -0.158388D+01  0.596827D-01  0.165744D+01  0.146991D-01
               221           222           223           224           225 
      1   0.111130D+01  0.146991D-01 -0.449867D+01  0.112888D+00  0.327534D+01
      2  -0.150784D+00 -0.423038D+00  0.112888D+00 -0.972322D+00 -0.580595D-01
      3  -0.423038D+00  0.829476D-01  0.327534D+01 -0.580595D-01 -0.587020D+01
               226           227           228           229           230 
      1   0.177381D+01 -0.167500D+01  0.863591D+00 -0.391764D+01  0.321775D+01
      2  -0.167500D+01  0.169732D+01 -0.515315D+00  0.321775D+01 -0.556842D+01
      3   0.863591D+00 -0.515315D+00  0.850936D+00 -0.106297D+01  0.194914D+01
               231           232           233           234           235 
      1  -0.106297D+01  0.198347D+01 -0.931222D+00  0.159794D+01  0.446495D+01
      2   0.194914D+01 -0.931222D+00  0.217246D+01 -0.130679D+01  0.239074D+01
      3  -0.158334D+01  0.159794D+01 -0.130679D+01  0.117081D+01  0.166761D+01
               236           237           238           239           240 
      1   0.239074D+01  0.166761D+01  0.543690D+01  0.345095D+01  0.157985D+01
      2   0.194513D+01  0.885451D+00  0.345095D+01  0.352384D+01  0.179230D+01
      3   0.885451D+00  0.136765D+01  0.157985D+01  0.179230D+01  0.161693D+01
               241           242           243           244           245 
      1   0.350723D+01  0.144043D+01  0.237157D+01  0.409975D-01 -0.826683D+00
      2   0.144043D+01  0.200528D+01  0.132783D+01 -0.826683D+00 -0.660928D+00
      3   0.237157D+01  0.132783D+01  0.162360D+01  0.119693D+01  0.209559D+00
               246           247           248           249           250 
      1   0.119693D+01 -0.119954D+01 -0.115655D+01  0.359920D+00  0.261179D+01
      2   0.209559D+00 -0.115655D+01 -0.961804D+00  0.116101D+01  0.414194D+00
      3  -0.106652D+01  0.359920D+00  0.116101D+01 -0.150625D+01 -0.177406D+01
               251           252           253           254           255 
      1   0.414194D+00 -0.177406D+01  0.754376D+01 -0.787707D+00 -0.188561D+01
      2   0.155461D+01 -0.137196D+01 -0.787707D+00 -0.310958D+01 -0.100281D+01
      3  -0.137196D+01  0.507867D+01 -0.188561D+01 -0.100281D+01 -0.148330D+01
               256           257           258           259           260 
      1  -0.352781D+01 -0.280478D+01 -0.129918D+01 -0.613483D+01 -0.156590D+01
      2  -0.280478D+01  0.478399D+01 -0.388769D+00 -0.156590D+01 -0.173342D+01
      3  -0.129918D+01 -0.388769D+00 -0.235886D+01 -0.198925D+01 -0.246813D+01
               261           262           263           264           265 
      1  -0.198925D+01 -0.131314D+01  0.155834D+01 -0.601366D+00  0.243240D+01
      2  -0.246813D+01  0.155834D+01 -0.176906D+01  0.454314D+00 -0.340908D+01
      3   0.265535D+01 -0.601366D+00  0.454314D+00 -0.470008D+00  0.849918D+00
               266           267           268           269           270 
      1  -0.340908D+01  0.849918D+00 -0.459646D-02 -0.268165D+00 -0.326213D+00
      2   0.847117D+01 -0.174013D+01 -0.268165D+00  0.460349D+00  0.588702D+00
      3  -0.174013D+01  0.156782D+01 -0.326213D+00  0.588702D+00 -0.705627D+00
               271           272           273           274           275 
      1  -0.257316D+00  0.400464D+00 -0.397384D+00  0.138351D+01  0.336644D+00
      2   0.400464D+00  0.525431D+00  0.219266D+00  0.336644D+00  0.172901D+00
      3  -0.397384D+00  0.219266D+00  0.431951D+00  0.415346D+00 -0.598461D+00
               276           277           278           279           280 
      1   0.415346D+00 -0.189505D+01 -0.201671D+00 -0.745114D+00 -0.144227D+02
      2  -0.598461D+00 -0.201671D+00 -0.126182D+01  0.324968D+00 -0.172819D+01
      3   0.129508D+01 -0.745114D+00  0.324968D+00 -0.601308D+01 -0.276851D+00
               281           282           283           284           285 
      1  -0.172819D+01 -0.276851D+00  0.531051D+00 -0.109902D+01  0.127497D+00
      2  -0.137856D+01 -0.177850D+00 -0.109902D+01 -0.592806D+00  0.921469D-01
      3  -0.177850D+00 -0.108060D+01  0.127497D+00  0.921469D-01  0.333033D+00
               286           287           288           289           290 
      1   0.189198D+01  0.427950D+00 -0.101010D+01  0.287565D-01 -0.774444D+00
      2   0.427950D+00  0.525460D+00  0.108396D+00 -0.774444D+00  0.192114D+01
      3  -0.101010D+01  0.108396D+00  0.715859D-01  0.220954D+00  0.364601D+00
               291           292           293           294           295 
      1   0.220954D+00 -0.167107D+01 -0.374371D+00 -0.124029D+00  0.884565D+00
      2   0.364601D+00 -0.374371D+00 -0.896668D+01 -0.936981D+00  0.294054D+00
      3   0.470524D+00 -0.124029D+00 -0.936981D+00 -0.107496D+01  0.155676D+00
               296           297 
      1   0.294054D+00  0.155676D+00
      2   0.472619D+00 -0.704654D+00
      3  -0.704654D+00 -0.364570D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434368D+00 -0.188563D+01  0.860470D+00 -0.696694D+01 -0.238329D+01
      2   0.276302D+01 -0.250062D+01  0.949176D+01 -0.236197D+01  0.192908D+01
      3   0.179898D+02 -0.232782D+01  0.286957D+01  0.797784D+01 -0.189062D+01
                 6             7             8             9            10 
      1  -0.196676D+01 -0.188864D+01  0.161975D+01 -0.682866D+00 -0.358386D+00
      2  -0.352472D+01 -0.413398D+01 -0.121416D+01  0.295438D+01  0.133809D+01
      3   0.240366D+01  0.145500D+02  0.129023D+00  0.277167D+01 -0.314209D+02
                11            12            13            14            15 
      1   0.435008D-01  0.193853D+01  0.157087D+01  0.402116D+01 -0.884255D+01
      2   0.895729D+00 -0.405057D+01  0.517720D+01  0.122314D+00  0.635532D+00
      3  -0.828248D+00  0.609098D+00  0.101884D+02 -0.156277D+01 -0.154783D+00
                16            17            18            19            20 
      1  -0.286935D+01 -0.149287D+01 -0.387189D+01  0.532711D+00  0.111632D+01
      2  -0.253568D+02 -0.167107D+01 -0.280248D+01 -0.481395D+01 -0.128687D+01
      3  -0.249374D+01 -0.101807D+01 -0.174264D+01 -0.121500D+02 -0.534104D+00
                21            22            23            24            25 
      1  -0.153624D+01  0.574632D+01 -0.165726D+01 -0.330556D+01  0.344785D+01
      2   0.330349D+01 -0.456504D+01 -0.196155D+01  0.118097D+01 -0.922484D+00
      3   0.267125D+01  0.719247D+01  0.157642D+01 -0.315251D+01  0.181698D+02
                26            27            28            29            30 
      1   0.175383D+01 -0.162879D+01 -0.851272D+00  0.160180D+01 -0.206109D+01
      2   0.473017D+00 -0.181246D+01  0.319738D+01  0.888877D+00 -0.313689D+01
      3  -0.155254D+01 -0.422280D+01  0.297362D+02 -0.739249D-02 -0.222121D+01
                31            32            33            34            35 
      1  -0.818652D+00  0.374756D+01 -0.959461D+01 -0.435326D+01 -0.941531D+00
      2   0.482706D+01  0.317864D+00  0.241701D+01 -0.261195D+02  0.415090D+01
      3   0.724028D+01  0.480739D+01  0.129465D+01 -0.749388D+01 -0.807347D+00
                36            37            38            39            40 
      1  -0.318406D+01 -0.678319D+00 -0.477922D+00 -0.170272D+01 -0.578497D+01
      2   0.464436D-01  0.118182D+01 -0.259174D+01  0.834584D+01 -0.329900D+01
      3   0.106152D+01 -0.142896D+02 -0.124686D+01  0.306204D+01  0.150062D+02
                41            42            43            44            45 
      1   0.187477D+01  0.874524D+00 -0.113884D+01  0.292446D+01  0.225246D+01
      2   0.145590D+01 -0.184098D+01 -0.609391D+01 -0.103131D+01  0.214373D+01
      3  -0.841649D+00  0.294424D+01 -0.101426D+02  0.296925D+01  0.246575D+01
                46            47            48            49            50 
      1   0.126140D+00  0.592785D+00  0.291899D+01  0.834483D+01  0.163612D+01
      2  -0.226690D+01 -0.187165D+01  0.397514D+01 -0.398042D+01 -0.155012D+01
      3   0.135019D+02 -0.129305D+01 -0.976980D+00  0.138606D+02  0.101532D+01
                51            52            53            54            55 
      1  -0.232157D+01  0.299041D+01  0.329273D+01  0.434544D+00 -0.170763D+01
      2   0.111919D+01 -0.131470D+01  0.153218D+01 -0.218628D+01 -0.434784D+01
      3  -0.468633D+01 -0.105256D+02 -0.152054D+01 -0.138938D+01  0.162560D+02
                56            57            58            59            60 
      1  -0.253154D+00 -0.705716D+00 -0.520329D+00 -0.509913D+01 -0.891533D+00
      2   0.267206D+00 -0.718759D+00 -0.192393D+01 -0.103315D+02  0.192695D+01
      3   0.902340D+01  0.474877D+00  0.346376D+02  0.240944D+00  0.630787D+01
                61            62            63            64            65 
      1  -0.219183D+00  0.370613D+01  0.420337D+01  0.217292D+01  0.120253D+01
      2  -0.202670D+02  0.615145D+00  0.194439D+02  0.400819D+01  0.137723D+01
      3   0.947447D+01  0.107338D+02  0.159362D+01 -0.187698D+02 -0.188634D+02
                66            67            68            69            70 
      1  -0.157785D+01 -0.898200D-01 -0.156907D+01 -0.188239D+01  0.558333D+00
      2   0.123799D+02  0.473828D+01  0.994304D+01  0.163133D+00  0.112570D+02
      3  -0.172723D+01 -0.244263D+02  0.451797D+01 -0.852107D+01 -0.101938D+02
                71            72            73            74            75 
      1   0.476207D+01  0.412930D+01  0.170249D+01  0.190264D+01  0.448628D+01
      2   0.278083D+01 -0.307785D+02 -0.671191D+00 -0.377565D+01 -0.455273D+01
      3  -0.124105D+02 -0.197594D+01  0.239225D+02  0.367252D+01  0.849337D+00
                76            77            78            79            80 
      1   0.273282D+01  0.882430D+01  0.140391D+01  0.630391D+01  0.751559D+01
      2  -0.484135D+01 -0.103422D+02 -0.378518D+01 -0.111559D+02 -0.590730D+01
      3   0.972260D+01 -0.617147D+01  0.827369D+01  0.146205D+01  0.114888D+02
                81            82            83            84            85 
      1  -0.109947D+02 -0.425363D+00 -0.492580D+00  0.376676D+00 -0.484426D+00
      2   0.171253D+02 -0.496973D+01 -0.218995D+01 -0.146195D+02 -0.364383D+01
      3   0.224831D+01  0.865376D+01  0.175155D+02  0.276191D+01  0.344954D+02
                86            87            88            89            90 
      1   0.126419D+01 -0.247953D+01  0.678890D+00  0.696437D+00 -0.122604D+01
      2  -0.202914D+02 -0.536459D+00 -0.285416D+02 -0.100389D+01  0.247595D+02
      3  -0.115655D+02  0.212311D+02  0.448811D+01  0.212619D+02  0.129486D+01
                91            92            93            94            95 
      1   0.197960D+01 -0.111052D+01  0.149327D+01  0.551152D+00 -0.135756D+01
      2  -0.974799D+01  0.139673D-01 -0.131371D+01 -0.890864D+00 -0.398763D+01
      3  -0.363758D+01 -0.296831D-01 -0.506358D+00  0.327703D+02 -0.145555D+02
                96            97            98            99           100 
      1  -0.210072D+01  0.136261D+01  0.526674D+01 -0.884479D-01  0.126525D+01
      2  -0.969259D+01 -0.161488D+02 -0.956395D+01  0.109798D+02  0.505153D+01
      3  -0.120901D+01  0.265857D+01 -0.944688D+00  0.675331D+01  0.127587D+02
               101           102           103           104           105 
      1   0.192845D+01 -0.379323D+01  0.124700D+01 -0.196831D+01  0.132625D+01
      2  -0.342982D+01  0.670612D+01 -0.123360D+01  0.493486D+01  0.178973D+02
      3  -0.137947D+02  0.163864D+01 -0.625290D+01 -0.106840D+01 -0.401094D+01
               106           107           108           109           110 
      1  -0.371439D+01 -0.179576D+01  0.446013D+01 -0.323928D+01 -0.241884D+01
      2  -0.200759D+01  0.131820D+02  0.944789D+01 -0.839043D+01  0.225155D+01
      3   0.102830D+02 -0.121826D+02 -0.995207D+01 -0.600740D-02 -0.152949D+01
               111           112           113           114           115 
      1   0.220974D+01 -0.198816D+01  0.425417D+01 -0.618529D+01  0.726598D+00
      2   0.508034D+01 -0.162317D+01 -0.105325D+02 -0.144864D+02  0.214732D+01
      3  -0.392935D+00 -0.461883D+01  0.196279D+02  0.121475D+02 -0.115853D+02
               116           117           118           119           120 
      1   0.704985D+01 -0.100256D+02  0.276222D+01 -0.414470D+00  0.499179D+00
      2  -0.122878D+02 -0.317758D+02  0.376067D+01  0.493272D+00  0.194280D+01
      3   0.179963D+02  0.122309D+02 -0.351963D+01  0.473212D+01 -0.272211D+01
               121           122           123           124           125 
      1  -0.634307D+00  0.394857D+01 -0.161043D+01 -0.114699D+01  0.627246D+01
      2   0.216632D+01  0.265001D+01 -0.114724D+01 -0.804143D+00 -0.405217D+01
      3   0.884427D+01 -0.179159D+02 -0.163347D+01  0.211116D+01 -0.610548D+01
               126           127           128           129           130 
      1   0.733454D+01 -0.187536D+01 -0.205667D+01  0.102328D+01 -0.199598D+00
      2   0.152997D+02  0.440102D+01  0.893660D+00 -0.985787D+00  0.517263D+00
      3   0.515257D+01 -0.354905D+00 -0.100446D+01  0.903070D+00  0.939551D+00
               131           132           133           134           135 
      1  -0.123809D+01 -0.216782D+00  0.271431D+01  0.524625D+01 -0.469399D+01
      2  -0.829531D-01  0.656208D+00 -0.468272D+01 -0.361479D+00 -0.173563D+01
      3  -0.458475D+00  0.347869D+00  0.101036D+01  0.218128D+01 -0.172103D+01
               136           137           138           139           140 
      1  -0.194553D+01  0.321912D+01 -0.757083D+00  0.136161D+01 -0.175612D+01
      2  -0.606349D+01  0.115702D+01 -0.159587D+01  0.151686D+01 -0.764911D+00
      3   0.489386D+00 -0.180954D+01  0.611737D+00  0.110392D+00  0.150308D+01
               141           142           143           144           145 
      1  -0.557613D+00 -0.152943D+01  0.370753D+01 -0.280874D+01  0.179165D+01
      2   0.151397D+00 -0.451026D+01  0.934223D-01  0.981607D+00  0.422972D+01
      3  -0.889382D-01  0.307269D+00 -0.213062D+01  0.158859D+01  0.274420D+01
               146           147           148           149           150 
      1  -0.990371D+00 -0.223480D+01  0.106846D+01 -0.599075D-01 -0.341155D+01
      2   0.450395D+00 -0.926199D+00  0.816410D+00 -0.133824D+00  0.548409D+00
      3  -0.700423D-01 -0.188894D+01  0.155311D+01 -0.366544D+00 -0.590399D+00
               151           152           153           154           155 
      1  -0.170924D+01  0.222026D+01  0.555264D+01  0.245357D+01  0.134435D+01
      2  -0.422734D+01 -0.311666D+00 -0.981280D+00 -0.514525D+01  0.192372D+00
      3  -0.244582D+01  0.100372D+01  0.166669D+01 -0.482942D+01 -0.803919D+00
               156           157           158           159           160 
      1   0.231762D+01 -0.147615D+01  0.135014D+00 -0.356367D+01  0.240723D+01
      2  -0.259846D+00  0.967541D+00  0.207555D+00 -0.836060D+00 -0.292749D+01
      3  -0.224960D+01  0.346131D+01  0.673087D+00  0.858539D+00 -0.299938D+01
               161           162           163           164           165 
      1   0.156023D+01  0.424832D+01 -0.133357D+01 -0.632483D+00  0.112871D+01
      2  -0.279375D+00  0.219273D+01 -0.499964D+01  0.681724D+00  0.536506D+01
      3  -0.132170D+01 -0.180175D+01 -0.174914D+01 -0.352022D+01  0.576168D+00
               166           167           168           169           170 
      1   0.707018D-01 -0.364109D+00 -0.931750D+00  0.214553D+01  0.214285D+01
      2   0.613482D+00 -0.113967D+01  0.457916D+00  0.221941D+01 -0.388080D+01
      3  -0.332798D+01  0.932938D-01  0.166876D+01  0.315316D+01  0.416497D+01
               171           172           173           174           175 
      1  -0.597799D+01  0.973933D+00 -0.887592D+00  0.137556D+01 -0.149884D+01
      2  -0.200132D+02  0.484598D+01 -0.141999D+01  0.323210D+01 -0.252337D+01
      3   0.349169D+00  0.107091D+01 -0.679569D+01 -0.247483D+00 -0.366977D+01
               176           177           178           179           180 
      1   0.320118D+01 -0.330390D+01  0.156106D+01 -0.107639D+01  0.115009D+01
      2   0.567038D+01 -0.374311D+01  0.356761D+01 -0.399806D+01  0.105723D+01
      3   0.173792D+02 -0.217046D+01 -0.350577D+01 -0.666984D+01  0.185846D+01
               181           182           183           184           185 
      1  -0.229121D+01 -0.147882D+01  0.834528D+00 -0.102196D+01 -0.367323D+00
      2   0.762532D+01  0.572257D+00 -0.470715D+01  0.187095D+01  0.352156D+01
      3   0.223393D+01  0.257893D+01  0.500835D+00  0.519053D+01 -0.652599D+00
               186           187           188           189           190 
      1  -0.523202D+00  0.145639D+01  0.337051D+01 -0.388960D+01  0.633763D+00
      2  -0.650972D+00 -0.816136D+01 -0.730060D+00  0.286921D+02 -0.196563D+01
      3  -0.262418D+01  0.126407D+00 -0.370497D+01 -0.543931D+00 -0.251168D+02
               191           192           193           194           195 
      1   0.573262D+00  0.226874D+01  0.261904D+00 -0.688036D+00 -0.106928D+01
      2   0.402823D+00 -0.406193D+00  0.266175D+00  0.661986D+00  0.243965D+00
      3   0.636530D+01  0.399222D+00  0.671401D+01 -0.376788D+01 -0.109938D+01
               196           197           198           199           200 
      1   0.222226D+01  0.612671D+00  0.663138D+00  0.217216D+01 -0.839777D-01
      2  -0.338288D+01  0.100505D+01 -0.101350D+01 -0.316187D+01 -0.114607D+01
      3   0.705391D+00 -0.216758D+01 -0.259441D+01 -0.204061D+01 -0.345680D+01
               201           202           203           204           205 
      1  -0.285659D+01  0.230963D+00  0.114361D+01 -0.209055D+01 -0.279983D+01
      2   0.493033D+01 -0.354681D+00 -0.195175D+01  0.126586D+01  0.764288D+00
      3  -0.328818D+00 -0.519043D+00 -0.124271D+01  0.194612D+01 -0.217465D+01
               206           207           208           209           210 
      1  -0.358799D-01  0.145474D+02 -0.246136D+01 -0.198495D+01 -0.366160D+01
      2   0.578555D+01 -0.219019D+02  0.326995D+01  0.284003D+01  0.450920D+01
      3   0.688557D+01 -0.469531D+01 -0.428736D+01 -0.882471D+01 -0.584956D+00
               211           212           213           214           215 
      1  -0.314166D+01 -0.535367D+01 -0.569087D+01 -0.324091D+01 -0.311653D+01
      2   0.295905D+01  0.723082D+01  0.576748D+01  0.332585D+01  0.638469D+01
      3  -0.321013D+01 -0.186413D+02 -0.481501D+01 -0.634969D+00 -0.101062D+02
               216           217           218           219           220 
      1  -0.342309D+01  0.349529D+00 -0.377207D+00 -0.137779D+00  0.172963D+00
      2   0.418398D+01 -0.929997D+01  0.270758D+00  0.108804D+02  0.236588D-01
      3  -0.412852D+01 -0.468510D+00 -0.435434D+01 -0.409033D+00 -0.452767D+01
               221           222           223           224           225 
      1   0.615086D-01 -0.853846D+00 -0.705080D+00  0.242271D+01  0.112070D+01
      2  -0.229082D+01  0.379254D+00  0.154325D+02 -0.279433D+00 -0.345352D+02
      3   0.908649D+00  0.194658D+01 -0.872429D+00  0.630188D+01  0.122448D+00
               226           227           228           229           230 
      1  -0.810350D+00  0.791310D+00  0.340930D+00  0.973957D+00 -0.276257D+01
      2   0.426504D+01 -0.238922D+01  0.524301D+01 -0.394201D+01  0.102692D+02
      3   0.899597D+01 -0.105548D+02  0.296936D+01 -0.142492D+02  0.316573D+02
               231           232           233           234           235 
      1  -0.138175D+01 -0.363429D+00  0.198716D+01  0.851082D-01  0.370572D+00
      2  -0.969389D+01  0.651562D+01 -0.702467D+01  0.601257D+01  0.753732D+01
      3  -0.108232D+02  0.442656D+01 -0.125936D+02  0.690311D+01 -0.117498D+02
               236           237           238           239           240 
      1   0.860049D+00 -0.876756D+00  0.466009D+00  0.137981D+01 -0.150764D+01
      2   0.412712D+01  0.898439D+01  0.641112D+01  0.906803D+01  0.974747D+01
      3  -0.124863D+02 -0.474785D+01 -0.157940D+02 -0.202294D+02 -0.981061D+01
               241           242           243           244           245 
      1  -0.532285D+00  0.157132D+01 -0.650729D+00  0.174613D+00 -0.410635D+00
      2   0.104943D+02  0.691299D+01  0.852329D+01 -0.505386D+01 -0.431025D+00
      3  -0.668432D+01 -0.118977D+02 -0.696146D+01 -0.300607D+01 -0.218403D+01
               246           247           248           249           250 
      1  -0.632195D+00 -0.162689D+00  0.183164D+00 -0.163566D+01 -0.617851D+00
      2   0.361715D+01  0.461946D-01 -0.307514D+01  0.523056D+01  0.100156D+01
      3  -0.205909D-01 -0.107330D+01 -0.231031D+01  0.318419D+01 -0.948613D+00
               251           252           253           254           255 
      1   0.213109D+01  0.266683D+01 -0.195347D+01  0.834511D+00 -0.231512D+01
      2   0.442467D+01 -0.161329D+02  0.170479D+02  0.465224D+01  0.813694D+01
      3   0.464629D+01 -0.334061D+01 -0.146266D+02 -0.126182D+02 -0.867532D+00
               256           257           258           259           260 
      1  -0.115865D+01 -0.595746D+01 -0.575303D+01 -0.125022D+01 -0.118790D+01
      2   0.441663D+01 -0.197651D+00  0.845758D+01  0.547665D+01  0.949705D+01
      3  -0.455102D+01  0.230994D+02  0.107518D+01  0.914819D+00 -0.238999D+01
               261           262           263           264           265 
      1   0.765569D+01 -0.148463D+00  0.632498D+00  0.779039D+00  0.101495D+01
      2  -0.146789D+02  0.117789D+01 -0.824169D+00  0.167471D+01 -0.150922D+01
      3  -0.693363D+01  0.340762D+01 -0.445903D+01  0.156256D+01 -0.717225D+01
               266           267           268           269           270 
      1  -0.386682D+01 -0.295455D+01 -0.301192D+00  0.300417D+00 -0.406401D+00
      2   0.455276D+01 -0.553898D+01  0.462027D+00 -0.154629D+01  0.190230D+01
      3   0.273662D+02 -0.547122D+01 -0.684418D+00  0.173505D+01  0.182286D+01
               271           272           273           274           275 
      1  -0.173143D+01 -0.758797D+00  0.475553D+00 -0.116541D+00 -0.218344D+01
      2   0.422510D+01  0.123318D+00 -0.212962D+01  0.119353D+01  0.317732D+01
      3   0.206534D+01  0.105966D+01  0.980548D+00  0.833800D+00  0.522126D+00
               276           277           278           279           280 
      1   0.211052D+01 -0.203123D+00  0.458316D+01 -0.102372D+02  0.808146D+00
      2  -0.545086D+01 -0.238132D+01 -0.236166D+01  0.240198D+02 -0.860622D+01
      3  -0.269320D+01  0.125191D+01 -0.460544D+01  0.273991D+01  0.137800D+02
               281           282           283           284           285 
      1   0.804437D+00 -0.197496D+01  0.930066D+00  0.523760D+00  0.169935D-01
      2  -0.209114D+00  0.771571D+01 -0.821930D+00 -0.103132D+01 -0.117706D+01
      3  -0.631747D+01 -0.677293D+00 -0.374179D+01 -0.831967D+00  0.295782D+00
               286           287           288           289           290 
      1  -0.175127D+01  0.840975D+00 -0.813340D-01  0.110737D+01 -0.732955D+00
      2   0.402703D+01 -0.688809D+00 -0.572558D+00 -0.702467D+00 -0.186882D+01
      3  -0.100849D+01  0.160806D+01  0.196445D+01 -0.454516D+01  0.719875D+01
               291           292           293           294           295 
      1   0.149661D+01 -0.400455D+00  0.581646D+01 -0.364837D+01  0.720951D+00
      2  -0.156883D+01 -0.101334D+01  0.395228D+01  0.385833D+01 -0.170045D+01
      3   0.511881D+00  0.454452D+01 -0.319548D+02 -0.264800D+01 -0.699263D+00
               296           297 
      1  -0.342091D+00 -0.159957D-01
      2   0.239589D+01  0.143141D+01
      3   0.102373D+01 -0.258473D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133413D+01 -0.903513D+01  0.223584D+02  0.156994D+02 -0.386733D+01
      2   0.537387D+01  0.397428D+01 -0.792966D+01 -0.340675D+01  0.421532D+01
      3  -0.403975D+01  0.506085D+01 -0.144288D+02 -0.122927D+02 -0.347989D+00
      4  -0.409705D+01  0.305338D+01 -0.505295D+00  0.849968D+01  0.416675D+01
      5   0.180090D+02  0.109444D+01 -0.767112D+01 -0.457784D+01 -0.308544D+01
      6   0.966991D+00 -0.299211D+01  0.320710D+00 -0.147763D+01  0.401265D+01
                 6             7             8             9            10 
      1  -0.165486D+02 -0.228024D+02 -0.998831D+01  0.583748D+01  0.509122D+02
      2   0.137704D+01  0.287671D+01  0.226208D+01  0.348612D+01 -0.187943D+02
      3   0.151716D+02  0.199257D+02  0.772623D+01 -0.932360D+01 -0.321179D+02
      4  -0.429841D+01  0.259182D+01 -0.187658D+01 -0.530724D+01 -0.104673D+02
      5  -0.461123D+01  0.881219D+01 -0.449373D+01  0.602539D+01 -0.245927D+01
      6   0.124382D+02 -0.688654D+01  0.451317D+01  0.139358D+02  0.141547D+01
                11            12            13            14            15 
      1   0.726337D+01 -0.901001D+00  0.107760D+02 -0.394618D+00  0.679019D+01
      2  -0.589383D+01  0.281104D+01 -0.105887D+02  0.725995D+01 -0.611241D+00
      3  -0.136953D+01 -0.191004D+01 -0.187246D+00 -0.686533D+01 -0.617895D+01
      4   0.175317D+01 -0.317934D+01  0.177391D+02 -0.497775D+01 -0.156736D+01
      5  -0.371720D+01  0.691728D+01  0.108968D+02 -0.689737D+00 -0.219728D+01
      6   0.351430D+00 -0.600928D+01 -0.511699D+01  0.399213D+01  0.758566D+01
                16            17            18            19            20 
      1  -0.102618D+02  0.786217D+01 -0.200608D+02 -0.123730D+01  0.580087D+01
      2  -0.430200D+00  0.331201D+01  0.275937D+01 -0.101261D+01 -0.246020D+01
      3   0.106920D+02 -0.111742D+02  0.173014D+02  0.224991D+01 -0.334067D+01
      4   0.154269D+02  0.401825D-01 -0.798467D+00  0.455667D+01 -0.102320D+01
      5  -0.158439D+02 -0.191393D+01 -0.308365D+01 -0.154273D+02  0.191139D+01
      6  -0.411135D+01  0.236135D+01 -0.500182D+01  0.187053D+01  0.417253D+01
                21            22            23            24            25 
      1  -0.266421D+02 -0.100547D+02 -0.465363D+01 -0.728021D+01  0.223317D+02
      2   0.702781D+01 -0.158809D+01  0.579085D+01  0.250531D+00 -0.131898D+01
      3   0.196143D+02  0.116428D+02 -0.113721D+01  0.702968D+01 -0.210127D+02
      4   0.204222D+01  0.471481D+01 -0.105469D+01  0.402522D+01  0.266231D+01
      5  -0.281444D+01  0.593545D+00  0.273904D+01  0.752311D+01  0.966266D+01
      6   0.449448D+01  0.235892D+01  0.309396D+01  0.834260D+01  0.109544D+02
                26            27            28            29            30 
      1  -0.889603D+01  0.878444D+01  0.176767D+02 -0.285619D+01  0.189690D+01
      2   0.207140D+01 -0.186881D+01 -0.550424D+01  0.575312D+01  0.365746D+00
      3   0.682463D+01 -0.691562D+01 -0.121725D+02 -0.289693D+01 -0.226264D+01
      4   0.360754D+01  0.689505D+01  0.170743D+02  0.223142D+01 -0.208468D+01
      5   0.555922D+01 -0.485745D+01  0.137972D+01 -0.150619D+01  0.798974D+01
      6   0.195263D+01  0.107315D+02  0.411047D+01 -0.870576D+00  0.476860D+01
                31            32            33            34            35 
      1  -0.377146D+01 -0.156826D+01  0.909246D+01 -0.999892D+01  0.100882D+02
      2   0.913630D+01  0.537894D+01 -0.239624D+01  0.305043D+01  0.171381D+01
      3  -0.536484D+01 -0.381067D+01 -0.669622D+01  0.694849D+01 -0.118020D+02
      4   0.157667D+02  0.106599D+01  0.157433D+01  0.118485D+02  0.506651D+01
      5   0.140843D+02 -0.287865D+00  0.171448D+01 -0.183307D+02  0.392929D+01
      6  -0.128287D+01  0.364742D+01  0.623242D+01 -0.115534D+01  0.212770D+01
                36            37            38            39            40 
      1  -0.226986D+02  0.112121D+02 -0.122095D+02  0.251059D+02  0.384568D+01
      2   0.457475D+01 -0.372276D-01  0.941498D+01 -0.120081D+02  0.433246D+01
      3   0.181239D+02 -0.111748D+02  0.279455D+01 -0.130978D+02 -0.817814D+01
      4   0.155699D+01 -0.887992D+01 -0.876508D-01  0.364036D+01  0.133833D+02
      5  -0.120332D+00  0.166770D+02  0.203260D+01 -0.911828D+01 -0.669789D+00
      6  -0.641515D+01 -0.952000D+00 -0.504767D+01  0.598259D+01 -0.852604D+00
                41            42            43            44            45 
      1  -0.119158D+02 -0.593518D+01 -0.174181D+02 -0.497796D+01  0.100063D+02
      2   0.168745D+02 -0.102961D+02  0.212215D+01 -0.220721D+01 -0.194093D+01
      3  -0.495869D+01  0.162313D+02  0.152960D+02  0.718518D+01 -0.806540D+01
      4   0.692962D+01 -0.319201D+01 -0.319620D+01 -0.171117D+01 -0.600125D+01
      5  -0.209727D+01 -0.285031D+01  0.108010D+02 -0.641927D+01  0.675051D+01
      6  -0.676056D+01  0.661725D+01 -0.103337D+02  0.453441D+00  0.788539D+01
                46            47            48            49            50 
      1  -0.112465D+02  0.970656D+01 -0.260299D+02 -0.573743D+01 -0.152157D+02
      2   0.353657D+01 -0.721050D+01  0.893279D+01 -0.598534D+01  0.210231D+02
      3   0.770994D+01 -0.249606D+01  0.170971D+02  0.117228D+02 -0.580746D+01
      4   0.871999D+01 -0.230118D+00  0.484649D+01  0.542768D+01 -0.705464D+01
      5  -0.165014D+02  0.452685D+01 -0.248712D+01  0.483663D+01  0.282989D+01
      6   0.351062D+01  0.472963D+01 -0.515994D+01  0.603594D+00 -0.599462D+01
                51            52            53            54            55 
      1   0.196618D+01  0.363953D+02 -0.481849D+01  0.987590D+01 -0.372270D+02
      2  -0.105623D+02 -0.872684D+01 -0.545554D-01 -0.467868D+01  0.124250D+02
      3   0.859614D+01 -0.276685D+02  0.487305D+01 -0.519722D+01  0.248020D+02
      4   0.232448D+01 -0.437181D+01 -0.329440D-01  0.650533D+01  0.675025D+00
      5   0.625812D+01  0.585147D+01  0.657755D+01 -0.704346D+01 -0.471017D+01
      6   0.425258D+01  0.104014D+02 -0.272573D+01  0.752200D+01  0.237035D+01
                56            57            58            59            60 
      1  -0.983615D+01 -0.384096D+01 -0.365898D+02 -0.288594D+02 -0.424090D+01
      2   0.715257D+01 -0.135851D+01  0.255410D+02  0.390845D+01  0.478457D+01
      3   0.268358D+01  0.519947D+01  0.110488D+02  0.249510D+02 -0.543663D+00
      4  -0.228246D+02 -0.613261D-01 -0.489636D+02  0.238599D+02 -0.125770D+02
      5  -0.636852D+00 -0.102698D+02 -0.435483D+01 -0.131640D+02  0.178032D+01
      6   0.315641D+00  0.175885D+01 -0.932759D+00  0.454837D+01 -0.284326D+00
                61            62            63            64            65 
      1  -0.277206D+02 -0.716282D+01 -0.778925D+01 -0.467654D+02  0.138496D+02
      2   0.429895D+01  0.705287D+01  0.116226D+02  0.300334D+02 -0.274087D+01
      3   0.234217D+02  0.109954D+00 -0.383334D+01  0.167320D+02 -0.111087D+02
      4  -0.441805D+01 -0.203343D+02  0.717700D+01  0.146436D+02  0.266883D+02
      5  -0.243449D+02  0.438112D+01  0.369850D+02 -0.181249D+01  0.299575D+01
      6   0.388059D+01 -0.189918D+01 -0.626334D+01  0.537781D+00 -0.210434D+01
                66            67            68            69            70 
      1  -0.315160D+01  0.496954D+02  0.460679D+02 -0.143434D+00  0.170144D+02
      2  -0.131781D+01 -0.208865D+02 -0.250742D+02  0.207542D+01 -0.665950D+01
      3   0.446942D+01 -0.288089D+02 -0.209937D+02 -0.193199D+01 -0.103549D+02
      4   0.230701D+01  0.435262D+02 -0.112242D+02  0.154474D+02  0.621688D+01
      5   0.171527D+02  0.771659D+01  0.179709D+02  0.181020D+01  0.319723D+02
      6   0.289233D+01  0.251816D+01  0.420162D+01 -0.367898D+00  0.258949D+01
                71            72            73            74            75 
      1   0.170567D+01  0.327896D+02  0.500692D+02 -0.469097D+01 -0.665123D+01
      2   0.352458D+01 -0.819005D+01 -0.341620D+02 -0.831852D+01 -0.651020D+00
      3  -0.523026D+01 -0.245995D+02 -0.159072D+02  0.130095D+02  0.730225D+01
      4   0.192899D+02  0.410645D+01 -0.120282D+01 -0.284340D+02 -0.705029D+01
      5   0.333828D+01 -0.507329D+02 -0.626910D+01 -0.518371D+01 -0.123492D+02
      6   0.345892D+01 -0.643102D+01 -0.617734D+01 -0.236277D+01 -0.871554D+01
                76            77            78            79            80 
      1  -0.105925D+02 -0.297650D+02  0.356758D+01 -0.105227D+02  0.312044D+01
      2  -0.652867D+01  0.113166D+02 -0.118489D+02 -0.206960D+01 -0.153865D+02
      3   0.171211D+02  0.184484D+02  0.828131D+01  0.125923D+02  0.122660D+02
      4  -0.330691D+02 -0.130723D+02 -0.203194D+02 -0.823092D+01 -0.289058D+02
      5  -0.605120D+01 -0.201431D+02 -0.756692D+01 -0.197481D+02 -0.129046D+02
      6  -0.502859D+01 -0.161741D+02 -0.359383D+01 -0.104305D+02 -0.769426D+01
                81            82            83            84            85 
      1  -0.913527D+01  0.603948D+02 -0.163847D+02 -0.266426D+01 -0.277214D+02
      2   0.864930D+01 -0.324442D+02  0.735612D+01 -0.203557D-01  0.127685D+02
      3   0.485976D+00 -0.279507D+02  0.902854D+01  0.268461D+01  0.149530D+02
      4  -0.178150D+02 -0.190907D+02 -0.373122D+02 -0.574607D+01 -0.566064D+02
      5   0.380076D+02 -0.565235D+01 -0.630516D+01 -0.317721D+02 -0.101680D+02
      6   0.187113D+02 -0.165091D+01 -0.488964D+01 -0.219648D+01 -0.917912D+01
                86            87            88            89            90 
      1  -0.493774D+02 -0.590890D+01 -0.114226D+02 -0.574023D+01 -0.425269D+02
      2   0.244346D+02  0.186280D+01  0.211478D+01  0.163641D+01  0.230420D+02
      3   0.249428D+02  0.404610D+01  0.930779D+01  0.410383D+01  0.194849D+02
      4   0.189700D+02 -0.405712D+02 -0.954041D+01 -0.398546D+02 -0.406866D+01
      5  -0.437368D+02 -0.290697D+01 -0.498545D+02 -0.294294D+01  0.461225D+02
      6   0.178661D+00 -0.506676D+01 -0.341619D+01 -0.534303D+01  0.157466D+01
                91            92            93            94            95 
      1   0.739396D+01 -0.290109D+01 -0.645395D+01 -0.226006D+01 -0.173634D+02
      2  -0.560798D+01 -0.139455D+01  0.131856D+01  0.393060D+01  0.919363D+01
      3  -0.178598D+01  0.429564D+01  0.513539D+01 -0.167054D+01  0.816981D+01
      4  -0.141697D+02 -0.141164D+02 -0.420581D+01 -0.366417D+02  0.143680D+02
      5  -0.159517D+02 -0.265958D+01 -0.984378D+01 -0.113144D+02 -0.541816D+01
      6  -0.817905D-01 -0.536751D+01 -0.645636D+01 -0.152576D+01  0.163998D+01
                96            97            98            99           100 
      1  -0.702730D+01 -0.158640D+02 -0.835631D+01 -0.429490D+01  0.470897D+01
      2   0.288323D+01  0.256680D+01 -0.341243D+00  0.561351D+01 -0.115848D+01
      3   0.414407D+01  0.132972D+02  0.869755D+01 -0.131862D+01 -0.355049D+01
      4  -0.545518D+01 -0.188127D+02 -0.607600D+01 -0.219017D+02  0.103481D+02
      5  -0.191904D+02 -0.193931D+02 -0.206323D+02  0.213006D+02  0.132670D+02
      6  -0.333044D+01 -0.934794D+01 -0.540870D+01  0.759497D+01 -0.616584D+01
               101           102           103           104           105 
      1   0.292358D+01  0.523704D+01  0.144332D+02  0.644090D+01  0.106537D+01
      2  -0.518571D+00 -0.383115D+01 -0.129491D+02 -0.159558D+01  0.438920D+01
      3  -0.240501D+01 -0.140589D+01 -0.148409D+01 -0.484532D+01 -0.545457D+01
      4   0.498695D+00 -0.432855D+01 -0.149364D+01 -0.770113D+01  0.924969D+01
      5  -0.557285D+01 -0.544164D+01 -0.122552D+02  0.113435D+02  0.347494D+02
      6   0.398843D+01  0.771229D+01  0.536463D+01 -0.102097D+02 -0.188339D+02
               106           107           108           109           110 
      1   0.165452D+02 -0.131247D+01 -0.561808D+00  0.218293D+02 -0.141892D+02
      2  -0.212933D+01 -0.747163D+01  0.393199D+01 -0.130206D+02  0.632645D+01
      3  -0.144159D+02  0.878411D+01 -0.337018D+01 -0.880861D+01  0.786275D+01
      4  -0.135202D+02  0.260956D+02  0.248304D+02 -0.201608D+02  0.177430D+02
      5  -0.225503D+02  0.257166D+02  0.189444D+02 -0.299334D+02  0.931755D+01
      6   0.133783D+02 -0.221864D+02 -0.126811D+02  0.112065D+02 -0.310218D+01
               111           112           113           114           115 
      1  -0.224993D+02 -0.151903D+02 -0.636378D+01 -0.590095D+01 -0.292996D+02
      2   0.146996D+02  0.457933D+01  0.157627D+02  0.345465D+01  0.173186D+02
      3   0.779967D+01  0.106110D+02 -0.939893D+01  0.244630D+01  0.119810D+02
      4   0.120286D+02  0.286485D+02 -0.349489D+02 -0.242538D+02  0.255586D+02
      5   0.225869D+02  0.186035D+02 -0.265168D+02 -0.298447D+02  0.386850D+02
      6  -0.543104D+01 -0.820828D+01  0.234920D+02  0.262401D+02 -0.144107D+02
               116           117           118           119           120 
      1  -0.384129D+01 -0.435652D+01  0.933422D+01 -0.411398D+01  0.116848D+02
      2   0.620055D+01 -0.159126D+02 -0.764890D+01  0.826460D+01 -0.792942D+01
      3  -0.235926D+01  0.202691D+02 -0.168532D+01 -0.415062D+01 -0.375542D+01
      4  -0.340419D+02 -0.265238D+02  0.399916D+00 -0.772356D+01 -0.274382D+01
      5  -0.295408D+02 -0.688280D+02  0.106960D+02  0.114423D+01  0.768967D+01
      6   0.271663D+02  0.356446D+02 -0.350529D+01 -0.193557D+01 -0.153387D+01
               121           122           123           124           125 
      1  -0.454548D+00 -0.539805D+01  0.371899D+01  0.175288D+02  0.169332D+01
      2   0.968193D+01 -0.147573D+02 -0.765152D+00 -0.985422D+01 -0.276757D+01
      3  -0.922738D+01  0.201554D+02 -0.295384D+01 -0.767458D+01  0.107425D+01
      4  -0.166408D+02  0.442821D+02  0.695828D+00 -0.904874D+01  0.110822D+02
      5   0.116215D+01  0.653210D+00 -0.247430D+01  0.171227D+02 -0.106882D+02
      6  -0.394083D+01  0.282597D+01  0.735408D+01 -0.428955D+01  0.134162D+02
               126           127           128           129           130 
      1  -0.149199D+01 -0.750980D+00 -0.649553D-01  0.352274D+01 -0.247847D+01
      2  -0.728919D+01 -0.534031D+01 -0.120310D+01  0.563296D+01 -0.613238D+00
      3   0.878118D+01  0.609129D+01  0.126806D+01 -0.915569D+01  0.309170D+01
      4  -0.100458D+02  0.922485D+00  0.238441D+01 -0.639877D+00  0.129010D+01
      5   0.309040D+02 -0.953761D+01 -0.245987D+01  0.121660D+02 -0.277295D+01
      6  -0.166089D+02  0.333713D+00 -0.177572D+01 -0.532372D+00 -0.987284D+00
               131           132           133           134           135 
      1  -0.314227D+01  0.753348D+01  0.355751D+01  0.444470D+01 -0.234469D+02
      2  -0.492628D+00  0.311354D+01  0.678956D+01  0.201594D+01 -0.145451D+02
      3   0.363490D+01 -0.106470D+02 -0.103471D+02 -0.646064D+01  0.379920D+02
      4   0.114292D+01 -0.120907D+01 -0.168647D+01 -0.309451D+01  0.179964D+01
      5  -0.260569D+01  0.451797D+01  0.120263D+02  0.398793D+01 -0.192755D+02
      6  -0.295125D+01  0.202545D+01  0.880669D+00  0.553611D+01 -0.214460D+01
               136           137           138           139           140 
      1   0.298539D+00  0.109869D+01 -0.730525D+00  0.162131D+01 -0.181503D+01
      2  -0.482082D+01  0.381190D+00 -0.485862D+01  0.150060D+01 -0.175793D+00
      3   0.452228D+01 -0.147988D+01  0.558915D+01 -0.312191D+01  0.199082D+01
      4  -0.156167D+00  0.365898D+01 -0.976324D+00  0.213108D+01 -0.348088D+01
      5   0.114305D+02 -0.234746D+01  0.104312D+02 -0.413961D+01  0.282772D+01
      6  -0.600182D+00  0.223086D+01 -0.707094D+00  0.111949D+01 -0.307876D+01
               141           142           143           144           145 
      1   0.506571D+01 -0.253842D+01  0.395039D+01 -0.128725D+02 -0.256143D+01
      2   0.264782D+01 -0.638765D+01  0.139073D+01 -0.928565D+01 -0.260215D+01
      3  -0.771353D+01  0.892607D+01 -0.534112D+01  0.221581D+02  0.516358D+01
      4   0.126625D+01 -0.115011D+01  0.256696D+01 -0.237044D+01  0.546497D+01
      5  -0.626625D+01  0.133554D+02 -0.442541D+01  0.167332D+02 -0.901067D+01
      6   0.183964D+01 -0.152490D+01  0.468021D+01 -0.328883D+01 -0.580540D+01
               146           147           148           149           150 
      1  -0.192623D+01  0.547764D+01 -0.258357D+01 -0.453211D+01  0.825837D+01
      2   0.530976D+00  0.273400D+01 -0.427611D+00  0.117399D+01  0.441278D+00
      3   0.139526D+01 -0.821164D+01  0.301118D+01  0.335811D+01 -0.869964D+01
      4   0.374966D+01 -0.535971D+01  0.251163D+01  0.193465D+01 -0.283833D+01
      5  -0.353443D+01  0.116070D+02 -0.337110D+01 -0.268703D+01  0.415154D+01
      6  -0.367188D+01  0.637882D+01 -0.300603D+01 -0.525877D+01  0.834234D+01
               151           152           153           154           155 
      1   0.713369D+01  0.105725D+02 -0.282046D+02  0.246278D+01  0.249613D+01
      2   0.210649D+01 -0.313141D+01 -0.535883D+01 -0.338119D+01 -0.222659D+01
      3  -0.924018D+01 -0.744111D+01  0.335634D+02  0.918410D+00 -0.269545D+00
      4  -0.566123D+01 -0.524082D+01  0.784624D+01 -0.100300D+02  0.704728D+01
      5   0.107761D+02  0.518870D+01 -0.171590D+02  0.149958D+02 -0.565878D+01
      6   0.818334D+01  0.125515D+02 -0.227064D+02 -0.854155D+01  0.567924D+01
               156           157           158           159           160 
      1  -0.219784D+01  0.371533D+00 -0.359429D+01  0.537694D+01 -0.394089D+01
      2  -0.241575D+01  0.985268D+00  0.186241D+01  0.780968D-01 -0.271665D+01
      3   0.461359D+01 -0.135680D+01  0.173187D+01 -0.545504D+01  0.665754D+01
      4  -0.798055D+01  0.487918D+01 -0.493176D+01  0.538822D+01 -0.844369D+01
      5   0.139670D+02 -0.696578D+01  0.468596D+01 -0.758759D+01  0.151172D+02
      6  -0.857670D+01  0.507701D+01 -0.584430D+01  0.824821D+01 -0.100978D+02
               161           162           163           164           165 
      1   0.808717D+01 -0.158146D+02  0.819663D+01  0.347511D+00 -0.729949D+01
      2  -0.370791D+01 -0.309636D+01 -0.785433D+01 -0.650950D+00  0.634559D+01
      3  -0.437927D+01  0.189109D+02 -0.342303D+00  0.303439D+00  0.953902D+00
      4   0.711973D+01 -0.104315D+02 -0.200064D+01  0.709448D+01  0.411712D+01
      5  -0.741723D+01  0.203715D+02 -0.134965D+02  0.270464D+01  0.146681D+02
      6   0.115074D+02 -0.182966D+02  0.224102D+01 -0.133458D+01 -0.225799D+01
               166           167           168           169           170 
      1   0.798128D+01  0.214686D+01 -0.156779D+01 -0.153557D+02 -0.295182D+01
      2  -0.494778D+01 -0.784833D+00  0.124104D+01  0.135118D+02  0.541570D+00
      3  -0.303349D+01 -0.136202D+01  0.326755D+00  0.184397D+01  0.241025D+01
      4   0.764335D+01 -0.348854D+01 -0.427797D+01  0.586792D+01 -0.873415D+01
      5  -0.323547D+00 -0.450633D+01  0.746875D+00  0.220447D+02 -0.819362D+01
      6  -0.153494D+01  0.132839D+01  0.502088D+01 -0.501872D+01  0.636991D+01
               171           172           173           174           175 
      1  -0.439813D+01  0.206297D+02 -0.849170D+01  0.398814D+01 -0.149424D+02
      2  -0.133311D+02 -0.410571D+01 -0.646224D+00 -0.919827D+00 -0.215863D+01
      3   0.177293D+02 -0.165240D+02  0.913792D+01 -0.306831D+01  0.171010D+02
      4  -0.109750D+02 -0.208410D+02  0.228834D+02 -0.192429D+01  0.339784D+02
      5  -0.438019D+02  0.521431D+01 -0.739276D+00  0.498547D+01 -0.174614D+01
      6   0.116055D+02 -0.149881D+01  0.662067D-01 -0.130381D+01  0.963686D+00
               176           177           178           179           180 
      1   0.453141D+00  0.371294D+00  0.194761D+02  0.148242D+01  0.177443D+01
      2   0.200518D+02 -0.274036D+01 -0.596423D+01 -0.493861D+01 -0.278992D+00
      3  -0.205050D+02  0.236906D+01 -0.135119D+02  0.345618D+01 -0.149544D+01
      4  -0.499072D+02  0.675623D+01 -0.917632D+01  0.158438D+02 -0.874463D+01
      5   0.620897D+01 -0.610998D+01  0.921260D+01 -0.755869D+01  0.273656D+01
      6  -0.212824D+01  0.464467D+01 -0.350972D+01  0.540471D+01 -0.245334D+01
               181           182           183           184           185 
      1  -0.239383D+01 -0.255162D+01  0.118384D+02 -0.811175D+01 -0.112655D+02
      2  -0.247819D+01  0.406449D+00 -0.323227D+01  0.336826D+01  0.506146D+01
      3   0.487201D+01  0.214517D+01 -0.860610D+01  0.474349D+01  0.620402D+01
      4  -0.418463D+01 -0.428340D+01  0.178074D+00 -0.366402D+01  0.876140D+00
      5   0.728724D+01 -0.337692D+00 -0.276154D+01  0.763188D+00  0.425048D+01
      6   0.138400D+01 -0.116120D+00 -0.150969D+01 -0.426266D+00  0.317047D+00
               186           187           188           189           190 
      1  -0.253736D+00  0.205276D+02 -0.722961D+00 -0.230267D+02 -0.532845D+02
      2   0.969445D+00 -0.902932D+01  0.122664D+01 -0.868542D+01  0.305742D+02
      3  -0.715710D+00 -0.114983D+02 -0.503678D+00  0.317121D+02  0.227102D+02
      4   0.391525D+01  0.151392D+01  0.648762D+01 -0.161430D+01 -0.174957D+02
      5  -0.610719D+00  0.309476D+00 -0.162725D+00  0.490906D+02  0.251248D+01
      6   0.613215D+01 -0.252656D+00  0.366004D+01  0.678555D+01  0.220047D+01
               191           192           193           194           195 
      1   0.140989D+02  0.165822D+01  0.692490D+01 -0.101679D+02 -0.584782D+00
      2  -0.147579D+02 -0.649377D+00 -0.768197D+01  0.915382D+01  0.145104D+01
      3   0.659075D+00 -0.100884D+01  0.757074D+00  0.101405D+01 -0.866255D+00
      4  -0.467542D+01  0.217276D+01  0.869611D+00 -0.101910D+01  0.198159D+01
      5   0.115473D+01 -0.181684D+01  0.483265D-01  0.232505D+01  0.765249D+00
      6   0.425375D+00 -0.353202D+01  0.652590D+00  0.110615D+01  0.188501D+01
               196           197           198           199           200 
      1   0.321106D+01 -0.226983D+01 -0.517058D+01  0.287902D+01  0.137660D+01
      2  -0.103003D+01  0.296522D+01  0.200790D+01 -0.216775D+01  0.177858D+01
      3  -0.218103D+01 -0.695385D+00  0.316268D+01 -0.711268D+00 -0.315518D+01
      4   0.119509D+01  0.371696D+01  0.161228D+01  0.555367D+01  0.936060D+01
      5   0.104381D+01  0.264208D+01 -0.307414D+01 -0.100817D+02 -0.352896D+01
      6  -0.214429D+01  0.335996D+01 -0.104438D+01 -0.387575D+01 -0.202806D+01
               201           202           203           204           205 
      1  -0.670365D+01 -0.874850D+00 -0.987320D-01  0.242151D+01 -0.114701D+02
      2   0.522695D+01  0.238989D+01  0.151088D+01 -0.255884D+01  0.799126D+01
      3   0.147670D+01 -0.151504D+01 -0.141215D+01  0.137333D+00  0.347889D+01
      4  -0.552943D+01  0.598694D+01  0.603100D+01 -0.495040D+01 -0.899165D+01
      5   0.137899D+02 -0.655464D+00 -0.522542D+01  0.325522D+01  0.156612D+02
      6   0.529885D+01 -0.150428D+01 -0.307024D+01  0.725626D+01  0.711673D+01
               206           207           208           209           210 
      1   0.549569D+01 -0.631705D+01  0.130136D+02  0.861872D+01  0.530826D+01
      2  -0.563108D+01 -0.854259D+01  0.207644D+01  0.810870D+01 -0.683700D-01
      3   0.135392D+00  0.148596D+02 -0.150900D+02 -0.167274D+02 -0.523989D+01
      4  -0.138726D+02  0.160830D+02  0.255788D+02  0.327298D+02  0.803863D+01
      5   0.137942D+02 -0.487803D+02  0.770964D+01  0.562046D+01  0.875403D+01
      6   0.122557D+02 -0.276370D+02  0.492740D+01  0.440395D+01  0.599587D+01
               211           212           213           214           215 
      1   0.885829D+01 -0.293119D+01 -0.116771D+01  0.955163D+01 -0.248809D+01
      2   0.810230D+01  0.311105D+02  0.778528D+01 -0.435025D+00  0.127595D+02
      3  -0.169606D+02 -0.281793D+02 -0.661758D+01 -0.911660D+01 -0.102714D+02
      4   0.326499D+02  0.552500D+02  0.149427D+02  0.154719D+02  0.267620D+02
      5   0.635216D+01  0.134920D+02  0.104631D+02  0.108761D+02  0.133064D+02
      6   0.534915D+01  0.120831D+02  0.983375D+01  0.724876D+01  0.119039D+02
               216           217           218           219           220 
      1   0.122354D+01  0.248016D+02  0.102755D+01 -0.195163D+02  0.316999D+01
      2   0.239821D+01 -0.144777D+02 -0.343758D+00  0.110675D+02 -0.129714D+01
      3  -0.362176D+01 -0.103239D+02 -0.683795D+00  0.844880D+01 -0.187285D+01
      4   0.152125D+02  0.191102D+01  0.827214D+01  0.297836D+00  0.139022D+02
      5   0.900247D+01 -0.203957D+02  0.760795D+00  0.229880D+02  0.293302D+00
      6   0.804706D+01 -0.449317D+00  0.241266D+00  0.511647D+00 -0.829862D+00
               221           222           223           224           225 
      1   0.964487D+01  0.712533D+00 -0.497290D+02  0.188966D+01  0.287848D+02
      2  -0.482659D+01 -0.654405D+00  0.288723D+02 -0.158617D+01 -0.228698D+02
      3  -0.481828D+01 -0.581279D-01  0.208567D+02 -0.303490D+00 -0.591503D+01
      4  -0.152540D+01 -0.462367D+01  0.145543D-01 -0.111908D+02  0.571462D+00
      5  -0.435328D+01  0.796967D+00  0.416379D+02 -0.427270D+00 -0.677500D+02
      6  -0.503527D+00  0.394172D+01  0.167124D+01  0.398954D+01 -0.228752D+01
               226           227           228           229           230 
      1   0.234285D+02 -0.194205D+02  0.995358D+01 -0.430670D+02  0.283242D+02
      2  -0.113943D+02  0.934438D+01 -0.537510D+01  0.212203D+02 -0.931220D+01
      3  -0.120342D+02  0.100762D+02 -0.457848D+01  0.218466D+02 -0.190120D+02
      4  -0.199734D+02  0.223656D+02 -0.657336D+01  0.390178D+02 -0.612182D+02
      5   0.116744D+02 -0.742323D+01  0.115127D+02 -0.144998D+02  0.232464D+02
      6  -0.245946D+01  0.196777D+01 -0.923460D+00  0.431856D+01 -0.725072D+01
               231           232           233           234           235 
      1  -0.865761D+01  0.209030D+02 -0.742675D+01  0.130458D+02  0.535621D+02
      2   0.546744D+01 -0.117432D+02  0.476302D+01 -0.942873D+01 -0.257663D+02
      3   0.319017D+01 -0.915983D+01  0.266373D+01 -0.361711D+01 -0.277958D+02
      4   0.217176D+02 -0.111775D+02  0.238500D+02 -0.139485D+02  0.316112D+02
      5  -0.193510D+02  0.203973D+02 -0.152033D+02  0.137707D+02  0.231648D+02
      6   0.571938D+01 -0.220993D+01  0.596699D+01 -0.415299D+01  0.512677D+01
               236           237           238           239           240 
      1   0.260906D+02  0.181117D+02  0.546454D+02  0.279003D+02  0.127124D+02
      2  -0.115610D+02 -0.967743D+01 -0.243942D+02 -0.774948D+01 -0.642374D+01
      3  -0.145296D+02 -0.843425D+01 -0.302511D+02 -0.201509D+02 -0.628865D+01
      4   0.267460D+02  0.115077D+02  0.438128D+02  0.420460D+02  0.209546D+02
      5   0.119656D+02  0.194935D+02  0.212210D+02  0.215910D+02  0.203868D+02
      6   0.329582D+01  0.294398D+01  0.672611D+01  0.734654D+01  0.651924D+01
               241           242           243           244           245 
      1   0.348029D+02  0.109928D+02  0.195517D+02  0.188284D+01  0.372141D+01
      2  -0.187244D+02 -0.523459D+01 -0.128273D+02 -0.330997D+01 -0.189288D+01
      3  -0.160785D+02 -0.575817D+01 -0.672444D+01  0.142712D+01 -0.182853D+01
      4   0.183368D+02  0.233500D+02  0.155977D+02  0.630703D+01  0.685269D+01
      5   0.308484D+02  0.160743D+02  0.202768D+02 -0.105456D+02 -0.257250D+01
      6   0.559426D+01  0.657835D+01  0.587620D+01 -0.438676D+01 -0.616741D+00
               246           247           248           249           250 
      1  -0.603014D+01  0.436334D+01  0.781891D-01  0.208224D+01 -0.847590D+01
      2   0.434105D+01 -0.181443D+01  0.106237D+01 -0.139027D+01  0.744559D+01
      3   0.168908D+01 -0.254891D+01 -0.114056D+01 -0.691963D+00  0.103030D+01
      4  -0.346153D+01  0.104018D+02  0.715859D+01 -0.762410D+01 -0.614939D+01
      5   0.113335D+02 -0.364909D+01 -0.781328D+01  0.106984D+02  0.158751D+02
      6   0.249425D+01 -0.213263D+01 -0.600803D+01  0.781257D+01  0.413208D+01
               251           252           253           254           255 
      1   0.234997D+01 -0.435724D+01 -0.799098D+02 -0.795197D+01  0.648908D+01
      2   0.431666D+00 -0.886917D+01  0.395939D+02  0.120126D+02 -0.474722D+01
      3  -0.278164D+01  0.132264D+02  0.403159D+02 -0.406064D+01 -0.174186D+01
      4  -0.110168D+02  0.108635D+02 -0.123097D+02  0.234967D+02  0.996017D+01
      5   0.963335D+01 -0.346642D+02  0.972246D+01  0.713931D+01  0.133506D+02
      6   0.767837D+01 -0.127897D+02  0.777619D+01  0.590642D+01  0.495959D+01
               256           257           258           259           260 
      1   0.106851D+02  0.342291D+02  0.276934D+01  0.266823D+02  0.346337D+01
      2  -0.134900D+01 -0.370994D+02 -0.686477D+01 -0.114597D+02 -0.320408D+01
      3  -0.933614D+01  0.287020D+01  0.409543D+01 -0.152226D+02 -0.259288D+00
      4   0.265954D+02 -0.249379D+02  0.518969D+01  0.200849D+02  0.145321D+02
      5   0.116921D+02  0.787703D+01  0.179412D+02  0.194739D+02  0.197698D+02
      6   0.646459D+01 -0.383803D+01  0.595843D+01  0.847404D+01  0.822701D+01
               261           262           263           264           265 
      1   0.145330D+02  0.819109D+01 -0.908817D+01  0.266395D+01 -0.823005D+01
      2   0.610132D+01  0.130401D+01 -0.102511D+01 -0.141835D+00 -0.748170D+01
      3  -0.206343D+02 -0.949509D+01  0.101133D+02 -0.252211D+01  0.157117D+02
      4   0.229363D+02 -0.155943D+02  0.188162D+02 -0.421672D+01  0.297099D+02
      5  -0.179638D+02  0.543981D+01 -0.453883D+01  0.392420D+01 -0.788741D+01
      6  -0.266201D+01 -0.325728D+01  0.317228D+01 -0.159060D+01  0.587313D+01
               266           267           268           269           270 
      1  -0.247918D+01 -0.385350D-01  0.107013D+00  0.124920D+01 -0.452380D+00
      2   0.308517D+02 -0.498079D+01 -0.201243D+01  0.334732D+01  0.131082D+01
      3  -0.283725D+02  0.501933D+01  0.190542D+01 -0.459652D+01 -0.858442D+00
      4  -0.615141D+02  0.128238D+02  0.227474D+01 -0.420404D+01 -0.421886D+01
      5   0.137700D+02 -0.110977D+02  0.309892D+01 -0.425885D+01  0.478924D+01
      6  -0.134491D+02  0.758922D+01 -0.175155D+01  0.435047D+01 -0.288272D+01
               271           272           273           274           275 
      1   0.547451D+01 -0.111746D+00  0.540132D+01 -0.695077D+01 -0.569049D+01
      2  -0.524802D+01 -0.109195D+01 -0.195731D+01  0.351323D+01  0.249955D+01
      3  -0.226490D+00  0.120369D+01 -0.344401D+01  0.343754D+01  0.319094D+01
      4  -0.125563D+01 -0.351356D+01 -0.427483D+00 -0.344661D+01 -0.232659D+01
      5   0.283629D+01 -0.171800D+01 -0.273900D+00 -0.477574D+01  0.347378D+01
      6  -0.480683D+00 -0.168322D+01 -0.129856D+01 -0.105968D+01 -0.374825D+00
               276           277           278           279           280 
      1  -0.384559D+00  0.108065D+02 -0.144026D+00 -0.115084D+02  0.126144D+03
      2   0.499015D+01 -0.720964D+01  0.445024D+01 -0.155905D+02 -0.596400D+02
      3  -0.460559D+01 -0.359690D+01 -0.430621D+01  0.270989D+02 -0.665038D+02
      4   0.373303D+01  0.463862D+01  0.932183D+01 -0.338352D+01  0.422572D+02
      5  -0.988394D+01  0.104776D+02 -0.246851D+01  0.432378D+02  0.110155D+02
      6   0.765080D+00  0.174997D+01  0.393580D+01  0.124102D+02 -0.445074D-01
               281           282           283           284           285 
      1   0.110327D+02 -0.490797D+00 -0.392724D+01  0.702260D+01 -0.207095D+00
      2  -0.165571D+01 -0.729319D+00  0.480190D+01 -0.192618D+00  0.588257D+00
      3  -0.937699D+01  0.122012D+01 -0.874657D+00 -0.682998D+01 -0.381162D+00
      4   0.186193D+02  0.133577D+01  0.128815D+02  0.646814D+01 -0.100997D+01
      5   0.194560D+01  0.132583D+02 -0.106758D+01 -0.648710D+00 -0.215816D+01
      6   0.184395D+01  0.373334D+01  0.517515D+00  0.526017D+00  0.192284D+00
               286           287           288           289           290 
      1  -0.154389D+02 -0.171464D+01  0.870507D+01  0.594688D+00  0.135996D+02
      2   0.606666D+01 -0.683562D-01 -0.639660D+01  0.286991D+01 -0.138270D+02
      3   0.937225D+01  0.178300D+01 -0.230847D+01 -0.346460D+01  0.227416D+00
      4  -0.688514D+01 -0.470405D+01  0.123870D+01  0.380670D+01 -0.669520D+01
      5   0.117126D+02 -0.563553D+00 -0.565064D+00 -0.179409D+01 -0.640168D+00
      6   0.309143D+01  0.546426D+00 -0.580682D+00 -0.453606D-01 -0.289210D+01
               291           292           293           294           295 
      1   0.377339D+00  0.118532D+02 -0.319331D+02 -0.314603D+01 -0.395019D+01
      2  -0.320279D+00 -0.452450D+01  0.527315D+02  0.321983D+01  0.113366D+01
      3  -0.570601D-01 -0.732867D+01 -0.207984D+02 -0.738048D-01  0.281653D+01
      4  -0.224515D+01  0.108427D+02  0.577550D+02  0.623478D+01 -0.324313D+01
      5  -0.286491D+01  0.298204D+01  0.369402D+01  0.714845D+01 -0.501585D+00
      6  -0.251136D+01  0.572058D+00  0.117879D+02  0.776912D+01 -0.534016D+00
               296           297 
      1  -0.112434D+01 -0.581462D+01
      2  -0.142340D+01  0.410114D+01
      3   0.254775D+01  0.171347D+01
      4  -0.384195D+01  0.331610D+01
      5   0.423761D+01  0.210338D+01
      6   0.643104D+01  0.123651D+01
 Leave Link  716 at Wed Sep  8 14:18:31 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216285D+03 -0.207863D+01 -0.547195D+00
      2  -0.207863D+01  0.135126D+03 -0.676684D+01
      3  -0.547195D+00 -0.676684D+01  0.149081D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.166566D+01 -0.744057D+01  0.221600D+02
      2   0.106775D+02 -0.786989D+01  0.302649D+02
      3  -0.104477D+03 -0.428260D+02  0.104073D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.247495D+03  0.428105D+02  0.400479D+01
      2  -0.128816D+03 -0.242852D+02  0.199062D+02
      3  -0.118679D+03 -0.185253D+02 -0.239110D+02
      4  -0.328258D+02  0.751618D+02 -0.241437D+02
      5   0.424415D+00 -0.260323D+02  0.592795D+02
      6  -0.122648D+02  0.143016D+02 -0.319775D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.126864D+02  0.228068D+00  0.929734D+00  0.571612D+01  0.204922D+01
      2   0.228068D+00  0.794502D+00  0.826709D-01  0.204922D+01  0.200424D+01
      3   0.929734D+00  0.826709D-01  0.147218D+01 -0.745110D-01 -0.284657D+01
                 6             7             8             9            10 
      1  -0.745110D-01 -0.104953D+02  0.337895D+00 -0.160628D+00  0.303725D+02
      2  -0.284657D+01  0.337895D+00 -0.120747D+01 -0.989796D+00  0.147897D+01
      3  -0.221830D+01 -0.160628D+00 -0.989796D+00 -0.183391D+01 -0.105784D+01
                11            12            13            14            15 
      1   0.147897D+01 -0.105784D+01 -0.688681D+00  0.475190D+01  0.123613D+01
      2   0.186561D+01 -0.657488D+00  0.475190D+01 -0.876978D+00 -0.172492D+00
      3  -0.657488D+00  0.276532D+01  0.123613D+01 -0.172492D+00 -0.566264D+00
                16            17            18            19            20 
      1  -0.271156D+01  0.122838D+01  0.104274D+01  0.958179D+01 -0.338116D+00
      2   0.122838D+01  0.460881D+00 -0.880014D+00 -0.338116D+00 -0.726735D+00
      3   0.104274D+01 -0.880014D+00 -0.590302D+00 -0.836810D+00 -0.324170D+00
                21            22            23            24            25 
      1  -0.836810D+00  0.409382D+01 -0.153464D+01 -0.108319D+01 -0.129463D+02
      2  -0.324170D+00 -0.153464D+01  0.217801D+01 -0.231400D+01  0.999153D-01
      3  -0.286201D+01 -0.108319D+01 -0.231400D+01 -0.139585D+01  0.531632D+00
                26            27            28            29            30 
      1   0.999153D-01  0.531632D+00 -0.281593D+02  0.209745D+00  0.892711D+00
      2  -0.101471D+01 -0.776091D+00  0.209745D+00 -0.150141D+01  0.253720D+00
      3  -0.776091D+00 -0.154120D+01  0.892711D+00  0.253720D+00 -0.268657D+01
                31            32            33            34            35 
      1   0.232396D+01 -0.500362D+01 -0.164130D+01  0.284491D+01 -0.144682D+01
      2  -0.500362D+01  0.433776D+00  0.419944D+00 -0.144682D+01  0.454973D-01
      3  -0.164130D+01  0.419944D+00 -0.133800D+00 -0.616752D+00 -0.983728D+00
                36            37            38            39            40 
      1  -0.616752D+00  0.131057D+02 -0.304776D+00 -0.103234D+01 -0.357355D+01
      2  -0.983728D+00 -0.304776D+00 -0.199383D+01  0.140254D+01 -0.158104D+01
      3   0.385711D+00 -0.103234D+01  0.140254D+01 -0.171587D+01 -0.295374D+00
                41            42            43            44            45 
      1  -0.158104D+01 -0.295374D+00  0.111242D+02 -0.161406D+01  0.281787D-01
      2  -0.265896D+01  0.259632D+01 -0.161406D+01  0.987291D+00  0.132739D+01
      3   0.259632D+01  0.189445D+01  0.281787D-01  0.132739D+01  0.179307D+01
                46            47            48            49            50 
      1  -0.962429D+01  0.207696D+00  0.698445D+00 -0.284807D+01  0.119495D+01
      2   0.207696D+00  0.161904D+01 -0.902438D+00  0.119495D+01 -0.326740D+01
      3   0.698445D+00 -0.902438D+00  0.276532D+01  0.137224D+01  0.218180D+01
                51            52            53            54            55 
      1   0.137224D+01  0.125718D+02  0.132537D+01 -0.914330D+00 -0.147701D+02
      2   0.218180D+01  0.132537D+01 -0.771215D-01  0.141090D+01 -0.209426D+01
      3   0.112223D+01 -0.914330D+00  0.141090D+01  0.930618D+00 -0.438045D+00
                56            57            58            59            60 
      1  -0.209426D+01 -0.438045D+00 -0.542803D+01 -0.708071D+01 -0.549651D+00
      2  -0.332471D+01 -0.114969D+00 -0.708071D+01  0.223632D+01 -0.171510D+01
      3  -0.114969D+00 -0.144573D+01 -0.549651D+00 -0.171510D+01  0.163554D+00
                61            62            63            64            65 
      1  -0.557273D+01 -0.124221D+01 -0.302875D+01 -0.805994D+00  0.279914D+01
      2  -0.124221D+01 -0.292378D+01  0.615291D+00  0.279914D+01  0.360568D+01
      3  -0.302875D+01  0.615291D+00  0.503321D+01 -0.664625D-01  0.372119D+00
                66            67            68            69            70 
      1  -0.664625D-01  0.105338D+02  0.620216D+01  0.778356D+00  0.530482D+01
      2   0.372119D+00  0.620216D+01 -0.133927D+01  0.210145D+01  0.131657D+01
      3   0.234367D+01  0.778356D+00  0.210145D+01  0.426076D+00  0.347851D+01
                71            72            73            74            75 
      1   0.131657D+01  0.347851D+01  0.590706D+01 -0.216764D+01 -0.100429D+01
      2   0.292934D+01  0.476341D+00 -0.216764D+01 -0.333148D+01 -0.620343D+00
      3   0.476341D+00 -0.667609D+01 -0.100429D+01 -0.620343D+00 -0.184412D+01
                76            77            78            79            80 
      1  -0.355762D+01 -0.370855D+01 -0.858914D+00 -0.195019D+01 -0.900048D+00
      2  -0.370855D+01 -0.253662D+00 -0.280412D+01 -0.900048D+00 -0.386066D+01
      3  -0.858914D+00 -0.280412D+01 -0.103058D+01 -0.256639D+01 -0.169879D+01
                81            82            83            84            85 
      1  -0.256639D+01  0.537524D+01 -0.165448D+01 -0.346161D+00 -0.342409D+01
      2  -0.169879D+01 -0.165448D+01 -0.338791D+01 -0.503500D+00 -0.521003D+01
      3   0.505649D+01 -0.346161D+00 -0.503500D+00 -0.285255D+01 -0.818308D+00
                86            87            88            89            90 
      1  -0.521003D+01 -0.818308D+00 -0.161770D+01 -0.877456D+00 -0.427947D+01
      2   0.186533D+01 -0.369044D+01 -0.877456D+00 -0.379421D+01 -0.227290D+00
      3  -0.369044D+01 -0.346648D+00 -0.427947D+01 -0.227290D+00  0.421809D+01
                91            92            93            94            95 
      1   0.476478D+01  0.184670D+01  0.170805D+01 -0.304738D+01  0.548828D+01
      2   0.184670D+01  0.164030D+01  0.341286D+00  0.548828D+01 -0.302154D+01
      3   0.170805D+01  0.341286D+00  0.150589D+01  0.146361D+01  0.472157D+00
                96            97            98            99           100 
      1   0.146361D+01  0.258499D+01  0.202853D+01  0.237237D+01  0.114176D+01
      2   0.472157D+00  0.202853D+01  0.494341D+00  0.263962D+01 -0.125419D+01
      3   0.221142D+01  0.237237D+01  0.263962D+01 -0.311767D+01 -0.161629D+01
               101           102           103           104           105 
      1  -0.125419D+01 -0.161629D+01 -0.573278D+00 -0.604533D+00  0.117806D+01
      2   0.149302D+00  0.780065D+00 -0.604533D+00  0.210677D+01 -0.161272D+01
      3   0.780065D+00  0.667005D+00  0.117806D+01 -0.161272D+01 -0.323029D+01
               106           107           108           109           110 
      1  -0.391356D+01  0.181762D+01  0.136505D+01 -0.276406D+01  0.184969D+01
      2   0.181762D+01 -0.352404D+01 -0.329634D+01  0.184969D+01 -0.101575D+01
      3   0.136505D+01 -0.329634D+01 -0.221905D+01  0.323892D+01 -0.774938D+00
               111           112           113           114           115 
      1   0.323892D+01  0.327406D+01 -0.282663D+01 -0.168003D+01  0.655953D+01
      2  -0.774938D+00 -0.282663D+01  0.480666D+01  0.374821D+01 -0.292901D+01
      3  -0.150499D+01 -0.168003D+01  0.374821D+01  0.352836D+01 -0.332137D+01
               116           117           118           119           120 
      1  -0.292901D+01 -0.332137D+01 -0.250188D+00 -0.271474D+00 -0.128678D+01
      2   0.486831D+01  0.401843D+01 -0.271474D+00  0.179043D+01 -0.192216D+00
      3   0.401843D+01  0.892333D+01 -0.128678D+01 -0.192216D+00 -0.160832D+00
               121           122           123           124           125 
      1  -0.846900D+00  0.276158D+01 -0.416424D+00 -0.366849D+01  0.835437D+00
      2   0.276158D+01 -0.617135D+01 -0.205089D+00  0.835437D+00 -0.157189D+01
      3  -0.416424D+00 -0.205089D+00 -0.386434D-01 -0.102903D+01  0.136998D+01
               126           127           128           129           130 
      1  -0.102903D+01  0.203655D+01  0.615950D+00 -0.200272D+01  0.235230D+00
      2   0.136998D+01  0.615950D+00  0.317465D+00 -0.412701D+00  0.157079D+00
      3  -0.399623D+01 -0.200272D+01 -0.412701D+00  0.215963D+01 -0.672982D+00
               131           132           133           134           135 
      1   0.157079D+00 -0.672982D+00 -0.232621D+01 -0.841677D+00  0.261677D+01
      2   0.377864D+00 -0.556587D+00 -0.841677D+00 -0.121905D+01  0.159217D+01
      3  -0.556587D+00  0.214394D+01  0.261677D+01  0.159217D+01 -0.702671D+01
               136           137           138           139           140 
      1  -0.312613D+01  0.825212D+00 -0.212701D+01  0.144838D+01 -0.659880D+00
      2   0.825212D+00 -0.814820D+00  0.562617D+00 -0.659880D+00  0.767828D+00
      3  -0.212701D+01  0.562617D+00 -0.182164D+01  0.113288D+01 -0.547641D+00
               141           142           143           144           145 
      1   0.113288D+01 -0.254092D+01  0.719820D+00 -0.260069D+01 -0.208927D+01
      2  -0.547641D+00  0.719820D+00 -0.102217D+01  0.140016D+01 -0.673087D+00
      3   0.187569D+01 -0.260069D+01  0.140016D+01 -0.472217D+01  0.200189D+01
               146           147           148           149           150 
      1  -0.673087D+00  0.200189D+01 -0.488747D+00 -0.192032D+00  0.709180D+00
      2  -0.417461D+00  0.665236D+00 -0.192032D+00 -0.583164D+00  0.766276D+00
      3   0.665236D+00 -0.217158D+01  0.709180D+00  0.766276D+00 -0.219513D+01
               151           152           153           154           155 
      1   0.207722D+01  0.971196D+00 -0.257258D+01  0.353131D+01 -0.103775D+01
      2   0.971196D+00  0.163211D+01 -0.229700D+01 -0.103775D+01  0.901547D+00
      3  -0.257258D+01 -0.229700D+01  0.705453D+01  0.247870D+01 -0.104113D+01
               156           157           158           159           160 
      1   0.247870D+01 -0.166958D+01  0.612629D+00 -0.125326D+01  0.266011D+01
      2  -0.104113D+01  0.612629D+00 -0.791658D+00  0.834905D+00 -0.118616D+01
      3   0.230754D+01 -0.125326D+01  0.834905D+00 -0.202794D+01  0.288237D+01
               161           162           163           164           165 
      1  -0.118616D+01  0.288237D+01  0.121147D+01 -0.416386D-01 -0.148330D+01
      2   0.161558D+01 -0.205916D+01 -0.416386D-01  0.771569D+00  0.294041D+00
      3  -0.205916D+01  0.513135D+01 -0.148330D+01  0.294041D+00  0.138445D+01
               166           167           168           169           170 
      1   0.157650D+01  0.117742D+01 -0.340718D-01 -0.371136D+01  0.125577D+00
      2   0.117742D+01 -0.343667D+00 -0.656970D+00  0.125577D+00 -0.118556D+01
      3  -0.340718D-01 -0.656970D+00  0.433331D-01  0.237487D+01 -0.116839D+01
               171           172           173           174           175 
      1   0.237487D+01  0.403411D+01 -0.181337D+01  0.682840D+00 -0.408476D+01
      2  -0.116839D+01 -0.181337D+01  0.224045D+01 -0.864128D-01  0.332262D+01
      3  -0.606574D+01  0.682840D+00 -0.864128D-01  0.413094D+00 -0.239419D+00
               176           177           178           179           180 
      1   0.332262D+01 -0.239419D+00  0.475825D+01 -0.417914D+00  0.107536D+01
      2  -0.637714D+01  0.894095D+00 -0.417914D+00  0.206569D+01 -0.104160D+01
      3   0.894095D+00 -0.810986D+00  0.107536D+01 -0.104160D+01  0.344266D+00
               181           182           183           184           185 
      1  -0.698263D+00 -0.696051D+00  0.125153D+01 -0.148584D+01 -0.876294D+00
      2  -0.696051D+00 -0.852386D+00 -0.762061D-01 -0.876294D+00  0.167446D+00
      3   0.125153D+01 -0.762061D-01 -0.103844D+01  0.844965D-01  0.678224D+00
               186           187           188           189           190 
      1   0.844965D-01  0.223194D+01  0.135648D+00 -0.590286D+00 -0.857039D+01
      2   0.678224D+00  0.135648D+00  0.106795D+01  0.194831D-01  0.518713D+00
      3  -0.268372D-01 -0.590286D+00  0.194831D-01  0.702366D+01  0.357392D+00
               191           192           193           194           195 
      1   0.518713D+00  0.357392D+00  0.112361D+00 -0.147482D+01  0.726648D-01
      2  -0.235827D+01  0.104137D+00 -0.147482D+01  0.576657D+00  0.319148D+00
      3   0.104137D+00 -0.667948D+00  0.726648D-01  0.319148D+00  0.350707D+00
               196           197           198           199           200 
      1   0.424277D+00 -0.923723D-01 -0.336445D+00  0.453814D+00  0.591294D+00
      2  -0.923723D-01  0.576614D+00  0.507041D+00  0.591294D+00  0.951158D+00
      3  -0.336445D+00  0.507041D+00 -0.306388D+00 -0.101915D+01 -0.324169D+00
               201           202           203           204           205 
      1  -0.101915D+01  0.272402D+00  0.575193D+00 -0.903681D-01 -0.183561D+01
      2  -0.324169D+00  0.575193D+00  0.711870D+00 -0.681050D+00 -0.538558D+00
      3   0.136337D+01 -0.903681D-01 -0.681050D+00  0.540339D+00  0.147890D+01
               206           207           208           209           210 
      1  -0.538558D+00  0.147890D+01  0.225373D+01  0.250879D+01  0.872974D+00
      2  -0.195399D+01  0.183659D+01  0.250879D+01  0.329237D+01  0.675354D+00
      3   0.183659D+01 -0.655870D+01  0.872974D+00  0.675354D+00  0.946737D+00
               211           212           213           214           215 
      1   0.230402D+01  0.318690D+01  0.819135D+00  0.180207D+01  0.142179D+01
      2   0.318690D+01  0.674061D+01  0.188301D+01  0.142179D+01  0.338779D+01
      3   0.819135D+00  0.188301D+01  0.134876D+01  0.121420D+01  0.176449D+01
               216           217           218           219           220 
      1   0.121420D+01  0.191540D+01  0.109359D+00 -0.158388D+01  0.358081D+00
      2   0.176449D+01  0.109359D+00  0.614471D+00  0.596827D-01  0.111130D+01
      3   0.111328D+01 -0.158388D+01  0.596827D-01  0.165744D+01  0.146991D-01
               221           222           223           224           225 
      1   0.111130D+01  0.146991D-01 -0.449867D+01  0.112888D+00  0.327534D+01
      2  -0.150784D+00 -0.423038D+00  0.112888D+00 -0.972322D+00 -0.580595D-01
      3  -0.423038D+00  0.829476D-01  0.327534D+01 -0.580595D-01 -0.587020D+01
               226           227           228           229           230 
      1   0.177381D+01 -0.167500D+01  0.863591D+00 -0.391764D+01  0.321775D+01
      2  -0.167500D+01  0.169732D+01 -0.515315D+00  0.321775D+01 -0.556842D+01
      3   0.863591D+00 -0.515315D+00  0.850936D+00 -0.106297D+01  0.194914D+01
               231           232           233           234           235 
      1  -0.106297D+01  0.198347D+01 -0.931222D+00  0.159794D+01  0.446495D+01
      2   0.194914D+01 -0.931222D+00  0.217246D+01 -0.130679D+01  0.239074D+01
      3  -0.158334D+01  0.159794D+01 -0.130679D+01  0.117081D+01  0.166761D+01
               236           237           238           239           240 
      1   0.239074D+01  0.166761D+01  0.543690D+01  0.345095D+01  0.157985D+01
      2   0.194513D+01  0.885451D+00  0.345095D+01  0.352384D+01  0.179230D+01
      3   0.885451D+00  0.136765D+01  0.157985D+01  0.179230D+01  0.161693D+01
               241           242           243           244           245 
      1   0.350723D+01  0.144043D+01  0.237157D+01  0.409975D-01 -0.826683D+00
      2   0.144043D+01  0.200528D+01  0.132783D+01 -0.826683D+00 -0.660928D+00
      3   0.237157D+01  0.132783D+01  0.162360D+01  0.119693D+01  0.209559D+00
               246           247           248           249           250 
      1   0.119693D+01 -0.119954D+01 -0.115655D+01  0.359920D+00  0.261179D+01
      2   0.209559D+00 -0.115655D+01 -0.961804D+00  0.116101D+01  0.414194D+00
      3  -0.106652D+01  0.359920D+00  0.116101D+01 -0.150625D+01 -0.177406D+01
               251           252           253           254           255 
      1   0.414194D+00 -0.177406D+01  0.754376D+01 -0.787707D+00 -0.188561D+01
      2   0.155461D+01 -0.137196D+01 -0.787707D+00 -0.310958D+01 -0.100281D+01
      3  -0.137196D+01  0.507867D+01 -0.188561D+01 -0.100281D+01 -0.148330D+01
               256           257           258           259           260 
      1  -0.352781D+01 -0.280478D+01 -0.129918D+01 -0.613483D+01 -0.156590D+01
      2  -0.280478D+01  0.478399D+01 -0.388769D+00 -0.156590D+01 -0.173342D+01
      3  -0.129918D+01 -0.388769D+00 -0.235886D+01 -0.198925D+01 -0.246813D+01
               261           262           263           264           265 
      1  -0.198925D+01 -0.131314D+01  0.155834D+01 -0.601366D+00  0.243240D+01
      2  -0.246813D+01  0.155834D+01 -0.176906D+01  0.454314D+00 -0.340908D+01
      3   0.265535D+01 -0.601366D+00  0.454314D+00 -0.470008D+00  0.849918D+00
               266           267           268           269           270 
      1  -0.340908D+01  0.849918D+00 -0.459646D-02 -0.268165D+00 -0.326213D+00
      2   0.847117D+01 -0.174013D+01 -0.268165D+00  0.460349D+00  0.588702D+00
      3  -0.174013D+01  0.156782D+01 -0.326213D+00  0.588702D+00 -0.705627D+00
               271           272           273           274           275 
      1  -0.257316D+00  0.400464D+00 -0.397384D+00  0.138351D+01  0.336644D+00
      2   0.400464D+00  0.525431D+00  0.219266D+00  0.336644D+00  0.172901D+00
      3  -0.397384D+00  0.219266D+00  0.431951D+00  0.415346D+00 -0.598461D+00
               276           277           278           279           280 
      1   0.415346D+00 -0.189505D+01 -0.201671D+00 -0.745114D+00 -0.144227D+02
      2  -0.598461D+00 -0.201671D+00 -0.126182D+01  0.324968D+00 -0.172819D+01
      3   0.129508D+01 -0.745114D+00  0.324968D+00 -0.601308D+01 -0.276851D+00
               281           282           283           284           285 
      1  -0.172819D+01 -0.276851D+00  0.531051D+00 -0.109902D+01  0.127497D+00
      2  -0.137856D+01 -0.177850D+00 -0.109902D+01 -0.592806D+00  0.921469D-01
      3  -0.177850D+00 -0.108060D+01  0.127497D+00  0.921469D-01  0.333033D+00
               286           287           288           289           290 
      1   0.189198D+01  0.427950D+00 -0.101010D+01  0.287565D-01 -0.774444D+00
      2   0.427950D+00  0.525460D+00  0.108396D+00 -0.774444D+00  0.192114D+01
      3  -0.101010D+01  0.108396D+00  0.715859D-01  0.220954D+00  0.364601D+00
               291           292           293           294           295 
      1   0.220954D+00 -0.167107D+01 -0.374371D+00 -0.124029D+00  0.884565D+00
      2   0.364601D+00 -0.374371D+00 -0.896668D+01 -0.936981D+00  0.294054D+00
      3   0.470524D+00 -0.124029D+00 -0.936981D+00 -0.107496D+01  0.155676D+00
               296           297 
      1   0.294054D+00  0.155676D+00
      2   0.472619D+00 -0.704654D+00
      3  -0.704654D+00 -0.364570D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434368D+00 -0.188563D+01  0.860470D+00 -0.696694D+01 -0.238329D+01
      2   0.276302D+01 -0.250062D+01  0.949176D+01 -0.236197D+01  0.192908D+01
      3   0.179898D+02 -0.232782D+01  0.286957D+01  0.797784D+01 -0.189062D+01
                 6             7             8             9            10 
      1  -0.196676D+01 -0.188864D+01  0.161975D+01 -0.682866D+00 -0.358386D+00
      2  -0.352472D+01 -0.413398D+01 -0.121416D+01  0.295438D+01  0.133809D+01
      3   0.240366D+01  0.145500D+02  0.129023D+00  0.277167D+01 -0.314209D+02
                11            12            13            14            15 
      1   0.435008D-01  0.193853D+01  0.157087D+01  0.402116D+01 -0.884255D+01
      2   0.895729D+00 -0.405057D+01  0.517720D+01  0.122314D+00  0.635532D+00
      3  -0.828248D+00  0.609098D+00  0.101884D+02 -0.156277D+01 -0.154783D+00
                16            17            18            19            20 
      1  -0.286935D+01 -0.149287D+01 -0.387189D+01  0.532711D+00  0.111632D+01
      2  -0.253568D+02 -0.167107D+01 -0.280248D+01 -0.481395D+01 -0.128687D+01
      3  -0.249374D+01 -0.101807D+01 -0.174264D+01 -0.121500D+02 -0.534104D+00
                21            22            23            24            25 
      1  -0.153624D+01  0.574632D+01 -0.165726D+01 -0.330556D+01  0.344785D+01
      2   0.330349D+01 -0.456504D+01 -0.196155D+01  0.118097D+01 -0.922484D+00
      3   0.267125D+01  0.719247D+01  0.157642D+01 -0.315251D+01  0.181698D+02
                26            27            28            29            30 
      1   0.175383D+01 -0.162879D+01 -0.851272D+00  0.160180D+01 -0.206109D+01
      2   0.473017D+00 -0.181246D+01  0.319738D+01  0.888877D+00 -0.313689D+01
      3  -0.155254D+01 -0.422280D+01  0.297362D+02 -0.739249D-02 -0.222121D+01
                31            32            33            34            35 
      1  -0.818652D+00  0.374756D+01 -0.959461D+01 -0.435326D+01 -0.941531D+00
      2   0.482706D+01  0.317864D+00  0.241701D+01 -0.261195D+02  0.415090D+01
      3   0.724028D+01  0.480739D+01  0.129465D+01 -0.749388D+01 -0.807347D+00
                36            37            38            39            40 
      1  -0.318406D+01 -0.678319D+00 -0.477922D+00 -0.170272D+01 -0.578497D+01
      2   0.464436D-01  0.118182D+01 -0.259174D+01  0.834584D+01 -0.329900D+01
      3   0.106152D+01 -0.142896D+02 -0.124686D+01  0.306204D+01  0.150062D+02
                41            42            43            44            45 
      1   0.187477D+01  0.874524D+00 -0.113884D+01  0.292446D+01  0.225246D+01
      2   0.145590D+01 -0.184098D+01 -0.609391D+01 -0.103131D+01  0.214373D+01
      3  -0.841649D+00  0.294424D+01 -0.101426D+02  0.296925D+01  0.246575D+01
                46            47            48            49            50 
      1   0.126140D+00  0.592785D+00  0.291899D+01  0.834483D+01  0.163612D+01
      2  -0.226690D+01 -0.187165D+01  0.397514D+01 -0.398042D+01 -0.155012D+01
      3   0.135019D+02 -0.129305D+01 -0.976980D+00  0.138606D+02  0.101532D+01
                51            52            53            54            55 
      1  -0.232157D+01  0.299041D+01  0.329273D+01  0.434544D+00 -0.170763D+01
      2   0.111919D+01 -0.131470D+01  0.153218D+01 -0.218628D+01 -0.434784D+01
      3  -0.468633D+01 -0.105256D+02 -0.152054D+01 -0.138938D+01  0.162560D+02
                56            57            58            59            60 
      1  -0.253154D+00 -0.705716D+00 -0.520329D+00 -0.509913D+01 -0.891533D+00
      2   0.267206D+00 -0.718759D+00 -0.192393D+01 -0.103315D+02  0.192695D+01
      3   0.902340D+01  0.474877D+00  0.346376D+02  0.240944D+00  0.630787D+01
                61            62            63            64            65 
      1  -0.219183D+00  0.370613D+01  0.420337D+01  0.217292D+01  0.120253D+01
      2  -0.202670D+02  0.615145D+00  0.194439D+02  0.400819D+01  0.137723D+01
      3   0.947447D+01  0.107338D+02  0.159362D+01 -0.187698D+02 -0.188634D+02
                66            67            68            69            70 
      1  -0.157785D+01 -0.898200D-01 -0.156907D+01 -0.188239D+01  0.558333D+00
      2   0.123799D+02  0.473828D+01  0.994304D+01  0.163133D+00  0.112570D+02
      3  -0.172723D+01 -0.244263D+02  0.451797D+01 -0.852107D+01 -0.101938D+02
                71            72            73            74            75 
      1   0.476207D+01  0.412930D+01  0.170249D+01  0.190264D+01  0.448628D+01
      2   0.278083D+01 -0.307785D+02 -0.671191D+00 -0.377565D+01 -0.455273D+01
      3  -0.124105D+02 -0.197594D+01  0.239225D+02  0.367252D+01  0.849337D+00
                76            77            78            79            80 
      1   0.273282D+01  0.882430D+01  0.140391D+01  0.630391D+01  0.751559D+01
      2  -0.484135D+01 -0.103422D+02 -0.378518D+01 -0.111559D+02 -0.590730D+01
      3   0.972260D+01 -0.617147D+01  0.827369D+01  0.146205D+01  0.114888D+02
                81            82            83            84            85 
      1  -0.109947D+02 -0.425363D+00 -0.492580D+00  0.376676D+00 -0.484426D+00
      2   0.171253D+02 -0.496973D+01 -0.218995D+01 -0.146195D+02 -0.364383D+01
      3   0.224831D+01  0.865376D+01  0.175155D+02  0.276191D+01  0.344954D+02
                86            87            88            89            90 
      1   0.126419D+01 -0.247953D+01  0.678890D+00  0.696437D+00 -0.122604D+01
      2  -0.202914D+02 -0.536459D+00 -0.285416D+02 -0.100389D+01  0.247595D+02
      3  -0.115655D+02  0.212311D+02  0.448811D+01  0.212619D+02  0.129486D+01
                91            92            93            94            95 
      1   0.197960D+01 -0.111052D+01  0.149327D+01  0.551152D+00 -0.135756D+01
      2  -0.974799D+01  0.139673D-01 -0.131371D+01 -0.890864D+00 -0.398763D+01
      3  -0.363758D+01 -0.296831D-01 -0.506358D+00  0.327703D+02 -0.145555D+02
                96            97            98            99           100 
      1  -0.210072D+01  0.136261D+01  0.526674D+01 -0.884479D-01  0.126525D+01
      2  -0.969259D+01 -0.161488D+02 -0.956395D+01  0.109798D+02  0.505153D+01
      3  -0.120901D+01  0.265857D+01 -0.944688D+00  0.675331D+01  0.127587D+02
               101           102           103           104           105 
      1   0.192845D+01 -0.379323D+01  0.124700D+01 -0.196831D+01  0.132625D+01
      2  -0.342982D+01  0.670612D+01 -0.123360D+01  0.493486D+01  0.178973D+02
      3  -0.137947D+02  0.163864D+01 -0.625290D+01 -0.106840D+01 -0.401094D+01
               106           107           108           109           110 
      1  -0.371439D+01 -0.179576D+01  0.446013D+01 -0.323928D+01 -0.241884D+01
      2  -0.200759D+01  0.131820D+02  0.944789D+01 -0.839043D+01  0.225155D+01
      3   0.102830D+02 -0.121826D+02 -0.995207D+01 -0.600740D-02 -0.152949D+01
               111           112           113           114           115 
      1   0.220974D+01 -0.198816D+01  0.425417D+01 -0.618529D+01  0.726598D+00
      2   0.508034D+01 -0.162317D+01 -0.105325D+02 -0.144864D+02  0.214732D+01
      3  -0.392935D+00 -0.461883D+01  0.196279D+02  0.121475D+02 -0.115853D+02
               116           117           118           119           120 
      1   0.704985D+01 -0.100256D+02  0.276222D+01 -0.414470D+00  0.499179D+00
      2  -0.122878D+02 -0.317758D+02  0.376067D+01  0.493272D+00  0.194280D+01
      3   0.179963D+02  0.122309D+02 -0.351963D+01  0.473212D+01 -0.272211D+01
               121           122           123           124           125 
      1  -0.634307D+00  0.394857D+01 -0.161043D+01 -0.114699D+01  0.627246D+01
      2   0.216632D+01  0.265001D+01 -0.114724D+01 -0.804143D+00 -0.405217D+01
      3   0.884427D+01 -0.179159D+02 -0.163347D+01  0.211116D+01 -0.610548D+01
               126           127           128           129           130 
      1   0.733454D+01 -0.187536D+01 -0.205667D+01  0.102328D+01 -0.199598D+00
      2   0.152997D+02  0.440102D+01  0.893660D+00 -0.985787D+00  0.517263D+00
      3   0.515257D+01 -0.354905D+00 -0.100446D+01  0.903070D+00  0.939551D+00
               131           132           133           134           135 
      1  -0.123809D+01 -0.216782D+00  0.271431D+01  0.524625D+01 -0.469399D+01
      2  -0.829531D-01  0.656208D+00 -0.468272D+01 -0.361479D+00 -0.173563D+01
      3  -0.458475D+00  0.347869D+00  0.101036D+01  0.218128D+01 -0.172103D+01
               136           137           138           139           140 
      1  -0.194553D+01  0.321912D+01 -0.757083D+00  0.136161D+01 -0.175612D+01
      2  -0.606349D+01  0.115702D+01 -0.159587D+01  0.151686D+01 -0.764911D+00
      3   0.489386D+00 -0.180954D+01  0.611737D+00  0.110392D+00  0.150308D+01
               141           142           143           144           145 
      1  -0.557613D+00 -0.152943D+01  0.370753D+01 -0.280874D+01  0.179165D+01
      2   0.151397D+00 -0.451026D+01  0.934223D-01  0.981607D+00  0.422972D+01
      3  -0.889382D-01  0.307269D+00 -0.213062D+01  0.158859D+01  0.274420D+01
               146           147           148           149           150 
      1  -0.990371D+00 -0.223480D+01  0.106846D+01 -0.599075D-01 -0.341155D+01
      2   0.450395D+00 -0.926199D+00  0.816410D+00 -0.133824D+00  0.548409D+00
      3  -0.700423D-01 -0.188894D+01  0.155311D+01 -0.366544D+00 -0.590399D+00
               151           152           153           154           155 
      1  -0.170924D+01  0.222026D+01  0.555264D+01  0.245357D+01  0.134435D+01
      2  -0.422734D+01 -0.311666D+00 -0.981280D+00 -0.514525D+01  0.192372D+00
      3  -0.244582D+01  0.100372D+01  0.166669D+01 -0.482942D+01 -0.803919D+00
               156           157           158           159           160 
      1   0.231762D+01 -0.147615D+01  0.135014D+00 -0.356367D+01  0.240723D+01
      2  -0.259846D+00  0.967541D+00  0.207555D+00 -0.836060D+00 -0.292749D+01
      3  -0.224960D+01  0.346131D+01  0.673087D+00  0.858539D+00 -0.299938D+01
               161           162           163           164           165 
      1   0.156023D+01  0.424832D+01 -0.133357D+01 -0.632483D+00  0.112871D+01
      2  -0.279375D+00  0.219273D+01 -0.499964D+01  0.681724D+00  0.536506D+01
      3  -0.132170D+01 -0.180175D+01 -0.174914D+01 -0.352022D+01  0.576168D+00
               166           167           168           169           170 
      1   0.707018D-01 -0.364109D+00 -0.931750D+00  0.214553D+01  0.214285D+01
      2   0.613482D+00 -0.113967D+01  0.457916D+00  0.221941D+01 -0.388080D+01
      3  -0.332798D+01  0.932938D-01  0.166876D+01  0.315316D+01  0.416497D+01
               171           172           173           174           175 
      1  -0.597799D+01  0.973933D+00 -0.887592D+00  0.137556D+01 -0.149884D+01
      2  -0.200132D+02  0.484598D+01 -0.141999D+01  0.323210D+01 -0.252337D+01
      3   0.349169D+00  0.107091D+01 -0.679569D+01 -0.247483D+00 -0.366977D+01
               176           177           178           179           180 
      1   0.320118D+01 -0.330390D+01  0.156106D+01 -0.107639D+01  0.115009D+01
      2   0.567038D+01 -0.374311D+01  0.356761D+01 -0.399806D+01  0.105723D+01
      3   0.173792D+02 -0.217046D+01 -0.350577D+01 -0.666984D+01  0.185846D+01
               181           182           183           184           185 
      1  -0.229121D+01 -0.147882D+01  0.834528D+00 -0.102196D+01 -0.367323D+00
      2   0.762532D+01  0.572257D+00 -0.470715D+01  0.187095D+01  0.352156D+01
      3   0.223393D+01  0.257893D+01  0.500835D+00  0.519053D+01 -0.652599D+00
               186           187           188           189           190 
      1  -0.523202D+00  0.145639D+01  0.337051D+01 -0.388960D+01  0.633763D+00
      2  -0.650972D+00 -0.816136D+01 -0.730060D+00  0.286921D+02 -0.196563D+01
      3  -0.262418D+01  0.126407D+00 -0.370497D+01 -0.543931D+00 -0.251168D+02
               191           192           193           194           195 
      1   0.573262D+00  0.226874D+01  0.261904D+00 -0.688036D+00 -0.106928D+01
      2   0.402823D+00 -0.406193D+00  0.266175D+00  0.661986D+00  0.243965D+00
      3   0.636530D+01  0.399222D+00  0.671401D+01 -0.376788D+01 -0.109938D+01
               196           197           198           199           200 
      1   0.222226D+01  0.612671D+00  0.663138D+00  0.217216D+01 -0.839777D-01
      2  -0.338288D+01  0.100505D+01 -0.101350D+01 -0.316187D+01 -0.114607D+01
      3   0.705391D+00 -0.216758D+01 -0.259441D+01 -0.204061D+01 -0.345680D+01
               201           202           203           204           205 
      1  -0.285659D+01  0.230963D+00  0.114361D+01 -0.209055D+01 -0.279983D+01
      2   0.493033D+01 -0.354681D+00 -0.195175D+01  0.126586D+01  0.764288D+00
      3  -0.328818D+00 -0.519043D+00 -0.124271D+01  0.194612D+01 -0.217465D+01
               206           207           208           209           210 
      1  -0.358799D-01  0.145474D+02 -0.246136D+01 -0.198495D+01 -0.366160D+01
      2   0.578555D+01 -0.219019D+02  0.326995D+01  0.284003D+01  0.450920D+01
      3   0.688557D+01 -0.469531D+01 -0.428736D+01 -0.882471D+01 -0.584956D+00
               211           212           213           214           215 
      1  -0.314166D+01 -0.535367D+01 -0.569087D+01 -0.324091D+01 -0.311653D+01
      2   0.295905D+01  0.723082D+01  0.576748D+01  0.332585D+01  0.638469D+01
      3  -0.321013D+01 -0.186413D+02 -0.481501D+01 -0.634969D+00 -0.101062D+02
               216           217           218           219           220 
      1  -0.342309D+01  0.349529D+00 -0.377207D+00 -0.137779D+00  0.172963D+00
      2   0.418398D+01 -0.929997D+01  0.270758D+00  0.108804D+02  0.236588D-01
      3  -0.412852D+01 -0.468510D+00 -0.435434D+01 -0.409033D+00 -0.452767D+01
               221           222           223           224           225 
      1   0.615086D-01 -0.853846D+00 -0.705080D+00  0.242271D+01  0.112070D+01
      2  -0.229082D+01  0.379254D+00  0.154325D+02 -0.279433D+00 -0.345352D+02
      3   0.908649D+00  0.194658D+01 -0.872429D+00  0.630188D+01  0.122448D+00
               226           227           228           229           230 
      1  -0.810350D+00  0.791310D+00  0.340930D+00  0.973957D+00 -0.276257D+01
      2   0.426504D+01 -0.238922D+01  0.524301D+01 -0.394201D+01  0.102692D+02
      3   0.899597D+01 -0.105548D+02  0.296936D+01 -0.142492D+02  0.316573D+02
               231           232           233           234           235 
      1  -0.138175D+01 -0.363429D+00  0.198716D+01  0.851082D-01  0.370572D+00
      2  -0.969389D+01  0.651562D+01 -0.702467D+01  0.601257D+01  0.753732D+01
      3  -0.108232D+02  0.442656D+01 -0.125936D+02  0.690311D+01 -0.117498D+02
               236           237           238           239           240 
      1   0.860049D+00 -0.876756D+00  0.466009D+00  0.137981D+01 -0.150764D+01
      2   0.412712D+01  0.898439D+01  0.641112D+01  0.906803D+01  0.974747D+01
      3  -0.124863D+02 -0.474785D+01 -0.157940D+02 -0.202294D+02 -0.981061D+01
               241           242           243           244           245 
      1  -0.532285D+00  0.157132D+01 -0.650729D+00  0.174613D+00 -0.410635D+00
      2   0.104943D+02  0.691299D+01  0.852329D+01 -0.505386D+01 -0.431025D+00
      3  -0.668432D+01 -0.118977D+02 -0.696146D+01 -0.300607D+01 -0.218403D+01
               246           247           248           249           250 
      1  -0.632195D+00 -0.162689D+00  0.183164D+00 -0.163566D+01 -0.617851D+00
      2   0.361715D+01  0.461946D-01 -0.307514D+01  0.523056D+01  0.100156D+01
      3  -0.205909D-01 -0.107330D+01 -0.231031D+01  0.318419D+01 -0.948613D+00
               251           252           253           254           255 
      1   0.213109D+01  0.266683D+01 -0.195347D+01  0.834511D+00 -0.231512D+01
      2   0.442467D+01 -0.161329D+02  0.170479D+02  0.465224D+01  0.813694D+01
      3   0.464629D+01 -0.334061D+01 -0.146266D+02 -0.126182D+02 -0.867532D+00
               256           257           258           259           260 
      1  -0.115865D+01 -0.595746D+01 -0.575303D+01 -0.125022D+01 -0.118790D+01
      2   0.441663D+01 -0.197651D+00  0.845758D+01  0.547665D+01  0.949705D+01
      3  -0.455102D+01  0.230994D+02  0.107518D+01  0.914819D+00 -0.238999D+01
               261           262           263           264           265 
      1   0.765569D+01 -0.148463D+00  0.632498D+00  0.779039D+00  0.101495D+01
      2  -0.146789D+02  0.117789D+01 -0.824169D+00  0.167471D+01 -0.150922D+01
      3  -0.693363D+01  0.340762D+01 -0.445903D+01  0.156256D+01 -0.717225D+01
               266           267           268           269           270 
      1  -0.386682D+01 -0.295455D+01 -0.301192D+00  0.300417D+00 -0.406401D+00
      2   0.455276D+01 -0.553898D+01  0.462027D+00 -0.154629D+01  0.190230D+01
      3   0.273662D+02 -0.547122D+01 -0.684418D+00  0.173505D+01  0.182286D+01
               271           272           273           274           275 
      1  -0.173143D+01 -0.758797D+00  0.475553D+00 -0.116541D+00 -0.218344D+01
      2   0.422510D+01  0.123318D+00 -0.212962D+01  0.119353D+01  0.317732D+01
      3   0.206534D+01  0.105966D+01  0.980548D+00  0.833800D+00  0.522126D+00
               276           277           278           279           280 
      1   0.211052D+01 -0.203123D+00  0.458316D+01 -0.102372D+02  0.808146D+00
      2  -0.545086D+01 -0.238132D+01 -0.236166D+01  0.240198D+02 -0.860622D+01
      3  -0.269320D+01  0.125191D+01 -0.460544D+01  0.273991D+01  0.137800D+02
               281           282           283           284           285 
      1   0.804437D+00 -0.197496D+01  0.930066D+00  0.523760D+00  0.169935D-01
      2  -0.209114D+00  0.771571D+01 -0.821930D+00 -0.103132D+01 -0.117706D+01
      3  -0.631747D+01 -0.677293D+00 -0.374179D+01 -0.831967D+00  0.295782D+00
               286           287           288           289           290 
      1  -0.175127D+01  0.840975D+00 -0.813340D-01  0.110737D+01 -0.732955D+00
      2   0.402703D+01 -0.688809D+00 -0.572558D+00 -0.702467D+00 -0.186882D+01
      3  -0.100849D+01  0.160806D+01  0.196445D+01 -0.454516D+01  0.719875D+01
               291           292           293           294           295 
      1   0.149661D+01 -0.400455D+00  0.581646D+01 -0.364837D+01  0.720951D+00
      2  -0.156883D+01 -0.101334D+01  0.395228D+01  0.385833D+01 -0.170045D+01
      3   0.511881D+00  0.454452D+01 -0.319548D+02 -0.264800D+01 -0.699263D+00
               296           297 
      1  -0.342091D+00 -0.159957D-01
      2   0.239589D+01  0.143141D+01
      3   0.102373D+01 -0.258473D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133413D+01 -0.903513D+01  0.223584D+02  0.156994D+02 -0.386733D+01
      2   0.537387D+01  0.397428D+01 -0.792966D+01 -0.340675D+01  0.421532D+01
      3  -0.403975D+01  0.506085D+01 -0.144288D+02 -0.122927D+02 -0.347989D+00
      4  -0.409705D+01  0.305338D+01 -0.505295D+00  0.849968D+01  0.416675D+01
      5   0.180090D+02  0.109444D+01 -0.767112D+01 -0.457784D+01 -0.308544D+01
      6   0.966991D+00 -0.299211D+01  0.320710D+00 -0.147763D+01  0.401265D+01
                 6             7             8             9            10 
      1  -0.165486D+02 -0.228024D+02 -0.998831D+01  0.583748D+01  0.509122D+02
      2   0.137704D+01  0.287671D+01  0.226208D+01  0.348612D+01 -0.187943D+02
      3   0.151716D+02  0.199257D+02  0.772623D+01 -0.932360D+01 -0.321179D+02
      4  -0.429841D+01  0.259182D+01 -0.187658D+01 -0.530724D+01 -0.104673D+02
      5  -0.461123D+01  0.881219D+01 -0.449373D+01  0.602539D+01 -0.245927D+01
      6   0.124382D+02 -0.688654D+01  0.451317D+01  0.139358D+02  0.141547D+01
                11            12            13            14            15 
      1   0.726337D+01 -0.901001D+00  0.107760D+02 -0.394618D+00  0.679019D+01
      2  -0.589383D+01  0.281104D+01 -0.105887D+02  0.725995D+01 -0.611241D+00
      3  -0.136953D+01 -0.191004D+01 -0.187246D+00 -0.686533D+01 -0.617895D+01
      4   0.175317D+01 -0.317934D+01  0.177391D+02 -0.497775D+01 -0.156736D+01
      5  -0.371720D+01  0.691728D+01  0.108968D+02 -0.689737D+00 -0.219728D+01
      6   0.351430D+00 -0.600928D+01 -0.511699D+01  0.399213D+01  0.758566D+01
                16            17            18            19            20 
      1  -0.102618D+02  0.786217D+01 -0.200608D+02 -0.123730D+01  0.580087D+01
      2  -0.430200D+00  0.331201D+01  0.275937D+01 -0.101261D+01 -0.246020D+01
      3   0.106920D+02 -0.111742D+02  0.173014D+02  0.224991D+01 -0.334067D+01
      4   0.154269D+02  0.401825D-01 -0.798467D+00  0.455667D+01 -0.102320D+01
      5  -0.158439D+02 -0.191393D+01 -0.308365D+01 -0.154273D+02  0.191139D+01
      6  -0.411135D+01  0.236135D+01 -0.500182D+01  0.187053D+01  0.417253D+01
                21            22            23            24            25 
      1  -0.266421D+02 -0.100547D+02 -0.465363D+01 -0.728021D+01  0.223317D+02
      2   0.702781D+01 -0.158809D+01  0.579085D+01  0.250531D+00 -0.131898D+01
      3   0.196143D+02  0.116428D+02 -0.113721D+01  0.702968D+01 -0.210127D+02
      4   0.204222D+01  0.471481D+01 -0.105469D+01  0.402522D+01  0.266231D+01
      5  -0.281444D+01  0.593545D+00  0.273904D+01  0.752311D+01  0.966266D+01
      6   0.449448D+01  0.235892D+01  0.309396D+01  0.834260D+01  0.109544D+02
                26            27            28            29            30 
      1  -0.889603D+01  0.878444D+01  0.176767D+02 -0.285619D+01  0.189690D+01
      2   0.207140D+01 -0.186881D+01 -0.550424D+01  0.575312D+01  0.365746D+00
      3   0.682463D+01 -0.691562D+01 -0.121725D+02 -0.289693D+01 -0.226264D+01
      4   0.360754D+01  0.689505D+01  0.170743D+02  0.223142D+01 -0.208468D+01
      5   0.555922D+01 -0.485745D+01  0.137972D+01 -0.150619D+01  0.798974D+01
      6   0.195263D+01  0.107315D+02  0.411047D+01 -0.870576D+00  0.476860D+01
                31            32            33            34            35 
      1  -0.377146D+01 -0.156826D+01  0.909246D+01 -0.999892D+01  0.100882D+02
      2   0.913630D+01  0.537894D+01 -0.239624D+01  0.305043D+01  0.171381D+01
      3  -0.536484D+01 -0.381067D+01 -0.669622D+01  0.694849D+01 -0.118020D+02
      4   0.157667D+02  0.106599D+01  0.157433D+01  0.118485D+02  0.506651D+01
      5   0.140843D+02 -0.287865D+00  0.171448D+01 -0.183307D+02  0.392929D+01
      6  -0.128287D+01  0.364742D+01  0.623242D+01 -0.115534D+01  0.212770D+01
                36            37            38            39            40 
      1  -0.226986D+02  0.112121D+02 -0.122095D+02  0.251059D+02  0.384568D+01
      2   0.457475D+01 -0.372276D-01  0.941498D+01 -0.120081D+02  0.433246D+01
      3   0.181239D+02 -0.111748D+02  0.279455D+01 -0.130978D+02 -0.817814D+01
      4   0.155699D+01 -0.887992D+01 -0.876508D-01  0.364036D+01  0.133833D+02
      5  -0.120332D+00  0.166770D+02  0.203260D+01 -0.911828D+01 -0.669789D+00
      6  -0.641515D+01 -0.952000D+00 -0.504767D+01  0.598259D+01 -0.852604D+00
                41            42            43            44            45 
      1  -0.119158D+02 -0.593518D+01 -0.174181D+02 -0.497796D+01  0.100063D+02
      2   0.168745D+02 -0.102961D+02  0.212215D+01 -0.220721D+01 -0.194093D+01
      3  -0.495869D+01  0.162313D+02  0.152960D+02  0.718518D+01 -0.806540D+01
      4   0.692962D+01 -0.319201D+01 -0.319620D+01 -0.171117D+01 -0.600125D+01
      5  -0.209727D+01 -0.285031D+01  0.108010D+02 -0.641927D+01  0.675051D+01
      6  -0.676056D+01  0.661725D+01 -0.103337D+02  0.453441D+00  0.788539D+01
                46            47            48            49            50 
      1  -0.112465D+02  0.970656D+01 -0.260299D+02 -0.573743D+01 -0.152157D+02
      2   0.353657D+01 -0.721050D+01  0.893279D+01 -0.598534D+01  0.210231D+02
      3   0.770994D+01 -0.249606D+01  0.170971D+02  0.117228D+02 -0.580746D+01
      4   0.871999D+01 -0.230118D+00  0.484649D+01  0.542768D+01 -0.705464D+01
      5  -0.165014D+02  0.452685D+01 -0.248712D+01  0.483663D+01  0.282989D+01
      6   0.351062D+01  0.472963D+01 -0.515994D+01  0.603594D+00 -0.599462D+01
                51            52            53            54            55 
      1   0.196618D+01  0.363953D+02 -0.481849D+01  0.987590D+01 -0.372270D+02
      2  -0.105623D+02 -0.872684D+01 -0.545554D-01 -0.467868D+01  0.124250D+02
      3   0.859614D+01 -0.276685D+02  0.487305D+01 -0.519722D+01  0.248020D+02
      4   0.232448D+01 -0.437181D+01 -0.329440D-01  0.650533D+01  0.675025D+00
      5   0.625812D+01  0.585147D+01  0.657755D+01 -0.704346D+01 -0.471017D+01
      6   0.425258D+01  0.104014D+02 -0.272573D+01  0.752200D+01  0.237035D+01
                56            57            58            59            60 
      1  -0.983615D+01 -0.384096D+01 -0.365898D+02 -0.288594D+02 -0.424090D+01
      2   0.715257D+01 -0.135851D+01  0.255410D+02  0.390845D+01  0.478457D+01
      3   0.268358D+01  0.519947D+01  0.110488D+02  0.249510D+02 -0.543663D+00
      4  -0.228246D+02 -0.613261D-01 -0.489636D+02  0.238599D+02 -0.125770D+02
      5  -0.636852D+00 -0.102698D+02 -0.435483D+01 -0.131640D+02  0.178032D+01
      6   0.315641D+00  0.175885D+01 -0.932759D+00  0.454837D+01 -0.284326D+00
                61            62            63            64            65 
      1  -0.277206D+02 -0.716282D+01 -0.778925D+01 -0.467654D+02  0.138496D+02
      2   0.429895D+01  0.705287D+01  0.116226D+02  0.300334D+02 -0.274087D+01
      3   0.234217D+02  0.109954D+00 -0.383334D+01  0.167320D+02 -0.111087D+02
      4  -0.441805D+01 -0.203343D+02  0.717700D+01  0.146436D+02  0.266883D+02
      5  -0.243449D+02  0.438112D+01  0.369850D+02 -0.181249D+01  0.299575D+01
      6   0.388059D+01 -0.189918D+01 -0.626334D+01  0.537781D+00 -0.210434D+01
                66            67            68            69            70 
      1  -0.315160D+01  0.496954D+02  0.460679D+02 -0.143434D+00  0.170144D+02
      2  -0.131781D+01 -0.208865D+02 -0.250742D+02  0.207542D+01 -0.665950D+01
      3   0.446942D+01 -0.288089D+02 -0.209937D+02 -0.193199D+01 -0.103549D+02
      4   0.230701D+01  0.435262D+02 -0.112242D+02  0.154474D+02  0.621688D+01
      5   0.171527D+02  0.771659D+01  0.179709D+02  0.181020D+01  0.319723D+02
      6   0.289233D+01  0.251816D+01  0.420162D+01 -0.367898D+00  0.258949D+01
                71            72            73            74            75 
      1   0.170567D+01  0.327896D+02  0.500692D+02 -0.469097D+01 -0.665123D+01
      2   0.352458D+01 -0.819005D+01 -0.341620D+02 -0.831852D+01 -0.651020D+00
      3  -0.523026D+01 -0.245995D+02 -0.159072D+02  0.130095D+02  0.730225D+01
      4   0.192899D+02  0.410645D+01 -0.120282D+01 -0.284340D+02 -0.705029D+01
      5   0.333828D+01 -0.507329D+02 -0.626910D+01 -0.518371D+01 -0.123492D+02
      6   0.345892D+01 -0.643102D+01 -0.617734D+01 -0.236277D+01 -0.871554D+01
                76            77            78            79            80 
      1  -0.105925D+02 -0.297650D+02  0.356758D+01 -0.105227D+02  0.312044D+01
      2  -0.652867D+01  0.113166D+02 -0.118489D+02 -0.206960D+01 -0.153865D+02
      3   0.171211D+02  0.184484D+02  0.828131D+01  0.125923D+02  0.122660D+02
      4  -0.330691D+02 -0.130723D+02 -0.203194D+02 -0.823092D+01 -0.289058D+02
      5  -0.605120D+01 -0.201431D+02 -0.756692D+01 -0.197481D+02 -0.129046D+02
      6  -0.502859D+01 -0.161741D+02 -0.359383D+01 -0.104305D+02 -0.769426D+01
                81            82            83            84            85 
      1  -0.913527D+01  0.603948D+02 -0.163847D+02 -0.266426D+01 -0.277214D+02
      2   0.864930D+01 -0.324442D+02  0.735612D+01 -0.203557D-01  0.127685D+02
      3   0.485976D+00 -0.279507D+02  0.902854D+01  0.268461D+01  0.149530D+02
      4  -0.178150D+02 -0.190907D+02 -0.373122D+02 -0.574607D+01 -0.566064D+02
      5   0.380076D+02 -0.565235D+01 -0.630516D+01 -0.317721D+02 -0.101680D+02
      6   0.187113D+02 -0.165091D+01 -0.488964D+01 -0.219648D+01 -0.917912D+01
                86            87            88            89            90 
      1  -0.493774D+02 -0.590890D+01 -0.114226D+02 -0.574023D+01 -0.425269D+02
      2   0.244346D+02  0.186280D+01  0.211478D+01  0.163641D+01  0.230420D+02
      3   0.249428D+02  0.404610D+01  0.930779D+01  0.410383D+01  0.194849D+02
      4   0.189700D+02 -0.405712D+02 -0.954041D+01 -0.398546D+02 -0.406866D+01
      5  -0.437368D+02 -0.290697D+01 -0.498545D+02 -0.294294D+01  0.461225D+02
      6   0.178661D+00 -0.506676D+01 -0.341619D+01 -0.534303D+01  0.157466D+01
                91            92            93            94            95 
      1   0.739396D+01 -0.290109D+01 -0.645395D+01 -0.226006D+01 -0.173634D+02
      2  -0.560798D+01 -0.139455D+01  0.131856D+01  0.393060D+01  0.919363D+01
      3  -0.178598D+01  0.429564D+01  0.513539D+01 -0.167054D+01  0.816981D+01
      4  -0.141697D+02 -0.141164D+02 -0.420581D+01 -0.366417D+02  0.143680D+02
      5  -0.159517D+02 -0.265958D+01 -0.984378D+01 -0.113144D+02 -0.541816D+01
      6  -0.817905D-01 -0.536751D+01 -0.645636D+01 -0.152576D+01  0.163998D+01
                96            97            98            99           100 
      1  -0.702730D+01 -0.158640D+02 -0.835631D+01 -0.429490D+01  0.470897D+01
      2   0.288323D+01  0.256680D+01 -0.341243D+00  0.561351D+01 -0.115848D+01
      3   0.414407D+01  0.132972D+02  0.869755D+01 -0.131862D+01 -0.355049D+01
      4  -0.545518D+01 -0.188127D+02 -0.607600D+01 -0.219017D+02  0.103481D+02
      5  -0.191904D+02 -0.193931D+02 -0.206323D+02  0.213006D+02  0.132670D+02
      6  -0.333044D+01 -0.934794D+01 -0.540870D+01  0.759497D+01 -0.616584D+01
               101           102           103           104           105 
      1   0.292358D+01  0.523704D+01  0.144332D+02  0.644090D+01  0.106537D+01
      2  -0.518571D+00 -0.383115D+01 -0.129491D+02 -0.159558D+01  0.438920D+01
      3  -0.240501D+01 -0.140589D+01 -0.148409D+01 -0.484532D+01 -0.545457D+01
      4   0.498695D+00 -0.432855D+01 -0.149364D+01 -0.770113D+01  0.924969D+01
      5  -0.557285D+01 -0.544164D+01 -0.122552D+02  0.113435D+02  0.347494D+02
      6   0.398843D+01  0.771229D+01  0.536463D+01 -0.102097D+02 -0.188339D+02
               106           107           108           109           110 
      1   0.165452D+02 -0.131247D+01 -0.561808D+00  0.218293D+02 -0.141892D+02
      2  -0.212933D+01 -0.747163D+01  0.393199D+01 -0.130206D+02  0.632645D+01
      3  -0.144159D+02  0.878411D+01 -0.337018D+01 -0.880861D+01  0.786275D+01
      4  -0.135202D+02  0.260956D+02  0.248304D+02 -0.201608D+02  0.177430D+02
      5  -0.225503D+02  0.257166D+02  0.189444D+02 -0.299334D+02  0.931755D+01
      6   0.133783D+02 -0.221864D+02 -0.126811D+02  0.112065D+02 -0.310218D+01
               111           112           113           114           115 
      1  -0.224993D+02 -0.151903D+02 -0.636378D+01 -0.590095D+01 -0.292996D+02
      2   0.146996D+02  0.457933D+01  0.157627D+02  0.345465D+01  0.173186D+02
      3   0.779967D+01  0.106110D+02 -0.939893D+01  0.244630D+01  0.119810D+02
      4   0.120286D+02  0.286485D+02 -0.349489D+02 -0.242538D+02  0.255586D+02
      5   0.225869D+02  0.186035D+02 -0.265168D+02 -0.298447D+02  0.386850D+02
      6  -0.543104D+01 -0.820828D+01  0.234920D+02  0.262401D+02 -0.144107D+02
               116           117           118           119           120 
      1  -0.384129D+01 -0.435652D+01  0.933422D+01 -0.411398D+01  0.116848D+02
      2   0.620055D+01 -0.159126D+02 -0.764890D+01  0.826460D+01 -0.792942D+01
      3  -0.235926D+01  0.202691D+02 -0.168532D+01 -0.415062D+01 -0.375542D+01
      4  -0.340419D+02 -0.265238D+02  0.399916D+00 -0.772356D+01 -0.274382D+01
      5  -0.295408D+02 -0.688280D+02  0.106960D+02  0.114423D+01  0.768967D+01
      6   0.271663D+02  0.356446D+02 -0.350529D+01 -0.193557D+01 -0.153387D+01
               121           122           123           124           125 
      1  -0.454548D+00 -0.539805D+01  0.371899D+01  0.175288D+02  0.169332D+01
      2   0.968193D+01 -0.147573D+02 -0.765152D+00 -0.985422D+01 -0.276757D+01
      3  -0.922738D+01  0.201554D+02 -0.295384D+01 -0.767458D+01  0.107425D+01
      4  -0.166408D+02  0.442821D+02  0.695828D+00 -0.904874D+01  0.110822D+02
      5   0.116215D+01  0.653210D+00 -0.247430D+01  0.171227D+02 -0.106882D+02
      6  -0.394083D+01  0.282597D+01  0.735408D+01 -0.428955D+01  0.134162D+02
               126           127           128           129           130 
      1  -0.149199D+01 -0.750980D+00 -0.649553D-01  0.352274D+01 -0.247847D+01
      2  -0.728919D+01 -0.534031D+01 -0.120310D+01  0.563296D+01 -0.613238D+00
      3   0.878118D+01  0.609129D+01  0.126806D+01 -0.915569D+01  0.309170D+01
      4  -0.100458D+02  0.922485D+00  0.238441D+01 -0.639877D+00  0.129010D+01
      5   0.309040D+02 -0.953761D+01 -0.245987D+01  0.121660D+02 -0.277295D+01
      6  -0.166089D+02  0.333713D+00 -0.177572D+01 -0.532372D+00 -0.987284D+00
               131           132           133           134           135 
      1  -0.314227D+01  0.753348D+01  0.355751D+01  0.444470D+01 -0.234469D+02
      2  -0.492628D+00  0.311354D+01  0.678956D+01  0.201594D+01 -0.145451D+02
      3   0.363490D+01 -0.106470D+02 -0.103471D+02 -0.646064D+01  0.379920D+02
      4   0.114292D+01 -0.120907D+01 -0.168647D+01 -0.309451D+01  0.179964D+01
      5  -0.260569D+01  0.451797D+01  0.120263D+02  0.398793D+01 -0.192755D+02
      6  -0.295125D+01  0.202545D+01  0.880669D+00  0.553611D+01 -0.214460D+01
               136           137           138           139           140 
      1   0.298539D+00  0.109869D+01 -0.730525D+00  0.162131D+01 -0.181503D+01
      2  -0.482082D+01  0.381190D+00 -0.485862D+01  0.150060D+01 -0.175793D+00
      3   0.452228D+01 -0.147988D+01  0.558915D+01 -0.312191D+01  0.199082D+01
      4  -0.156167D+00  0.365898D+01 -0.976324D+00  0.213108D+01 -0.348088D+01
      5   0.114305D+02 -0.234746D+01  0.104312D+02 -0.413961D+01  0.282772D+01
      6  -0.600182D+00  0.223086D+01 -0.707094D+00  0.111949D+01 -0.307876D+01
               141           142           143           144           145 
      1   0.506571D+01 -0.253842D+01  0.395039D+01 -0.128725D+02 -0.256143D+01
      2   0.264782D+01 -0.638765D+01  0.139073D+01 -0.928565D+01 -0.260215D+01
      3  -0.771353D+01  0.892607D+01 -0.534112D+01  0.221581D+02  0.516358D+01
      4   0.126625D+01 -0.115011D+01  0.256696D+01 -0.237044D+01  0.546497D+01
      5  -0.626625D+01  0.133554D+02 -0.442541D+01  0.167332D+02 -0.901067D+01
      6   0.183964D+01 -0.152490D+01  0.468021D+01 -0.328883D+01 -0.580540D+01
               146           147           148           149           150 
      1  -0.192623D+01  0.547764D+01 -0.258357D+01 -0.453211D+01  0.825837D+01
      2   0.530976D+00  0.273400D+01 -0.427611D+00  0.117399D+01  0.441278D+00
      3   0.139526D+01 -0.821164D+01  0.301118D+01  0.335811D+01 -0.869964D+01
      4   0.374966D+01 -0.535971D+01  0.251163D+01  0.193465D+01 -0.283833D+01
      5  -0.353443D+01  0.116070D+02 -0.337110D+01 -0.268703D+01  0.415154D+01
      6  -0.367188D+01  0.637882D+01 -0.300603D+01 -0.525877D+01  0.834234D+01
               151           152           153           154           155 
      1   0.713369D+01  0.105725D+02 -0.282046D+02  0.246278D+01  0.249613D+01
      2   0.210649D+01 -0.313141D+01 -0.535883D+01 -0.338119D+01 -0.222659D+01
      3  -0.924018D+01 -0.744111D+01  0.335634D+02  0.918410D+00 -0.269545D+00
      4  -0.566123D+01 -0.524082D+01  0.784624D+01 -0.100300D+02  0.704728D+01
      5   0.107761D+02  0.518870D+01 -0.171590D+02  0.149958D+02 -0.565878D+01
      6   0.818334D+01  0.125515D+02 -0.227064D+02 -0.854155D+01  0.567924D+01
               156           157           158           159           160 
      1  -0.219784D+01  0.371533D+00 -0.359429D+01  0.537694D+01 -0.394089D+01
      2  -0.241575D+01  0.985268D+00  0.186241D+01  0.780968D-01 -0.271665D+01
      3   0.461359D+01 -0.135680D+01  0.173187D+01 -0.545504D+01  0.665754D+01
      4  -0.798055D+01  0.487918D+01 -0.493176D+01  0.538822D+01 -0.844369D+01
      5   0.139670D+02 -0.696578D+01  0.468596D+01 -0.758759D+01  0.151172D+02
      6  -0.857670D+01  0.507701D+01 -0.584430D+01  0.824821D+01 -0.100978D+02
               161           162           163           164           165 
      1   0.808717D+01 -0.158146D+02  0.819663D+01  0.347511D+00 -0.729949D+01
      2  -0.370791D+01 -0.309636D+01 -0.785433D+01 -0.650950D+00  0.634559D+01
      3  -0.437927D+01  0.189109D+02 -0.342303D+00  0.303439D+00  0.953902D+00
      4   0.711973D+01 -0.104315D+02 -0.200064D+01  0.709448D+01  0.411712D+01
      5  -0.741723D+01  0.203715D+02 -0.134965D+02  0.270464D+01  0.146681D+02
      6   0.115074D+02 -0.182966D+02  0.224102D+01 -0.133458D+01 -0.225799D+01
               166           167           168           169           170 
      1   0.798128D+01  0.214686D+01 -0.156779D+01 -0.153557D+02 -0.295182D+01
      2  -0.494778D+01 -0.784833D+00  0.124104D+01  0.135118D+02  0.541570D+00
      3  -0.303349D+01 -0.136202D+01  0.326755D+00  0.184397D+01  0.241025D+01
      4   0.764335D+01 -0.348854D+01 -0.427797D+01  0.586792D+01 -0.873415D+01
      5  -0.323547D+00 -0.450633D+01  0.746875D+00  0.220447D+02 -0.819362D+01
      6  -0.153494D+01  0.132839D+01  0.502088D+01 -0.501872D+01  0.636991D+01
               171           172           173           174           175 
      1  -0.439813D+01  0.206297D+02 -0.849170D+01  0.398814D+01 -0.149424D+02
      2  -0.133311D+02 -0.410571D+01 -0.646224D+00 -0.919827D+00 -0.215863D+01
      3   0.177293D+02 -0.165240D+02  0.913792D+01 -0.306831D+01  0.171010D+02
      4  -0.109750D+02 -0.208410D+02  0.228834D+02 -0.192429D+01  0.339784D+02
      5  -0.438019D+02  0.521431D+01 -0.739276D+00  0.498547D+01 -0.174614D+01
      6   0.116055D+02 -0.149881D+01  0.662067D-01 -0.130381D+01  0.963686D+00
               176           177           178           179           180 
      1   0.453141D+00  0.371294D+00  0.194761D+02  0.148242D+01  0.177443D+01
      2   0.200518D+02 -0.274036D+01 -0.596423D+01 -0.493861D+01 -0.278992D+00
      3  -0.205050D+02  0.236906D+01 -0.135119D+02  0.345618D+01 -0.149544D+01
      4  -0.499072D+02  0.675623D+01 -0.917632D+01  0.158438D+02 -0.874463D+01
      5   0.620897D+01 -0.610998D+01  0.921260D+01 -0.755869D+01  0.273656D+01
      6  -0.212824D+01  0.464467D+01 -0.350972D+01  0.540471D+01 -0.245334D+01
               181           182           183           184           185 
      1  -0.239383D+01 -0.255162D+01  0.118384D+02 -0.811175D+01 -0.112655D+02
      2  -0.247819D+01  0.406449D+00 -0.323227D+01  0.336826D+01  0.506146D+01
      3   0.487201D+01  0.214517D+01 -0.860610D+01  0.474349D+01  0.620402D+01
      4  -0.418463D+01 -0.428340D+01  0.178074D+00 -0.366402D+01  0.876140D+00
      5   0.728724D+01 -0.337692D+00 -0.276154D+01  0.763188D+00  0.425048D+01
      6   0.138400D+01 -0.116120D+00 -0.150969D+01 -0.426266D+00  0.317047D+00
               186           187           188           189           190 
      1  -0.253736D+00  0.205276D+02 -0.722961D+00 -0.230267D+02 -0.532845D+02
      2   0.969445D+00 -0.902932D+01  0.122664D+01 -0.868542D+01  0.305742D+02
      3  -0.715710D+00 -0.114983D+02 -0.503678D+00  0.317121D+02  0.227102D+02
      4   0.391525D+01  0.151392D+01  0.648762D+01 -0.161430D+01 -0.174957D+02
      5  -0.610719D+00  0.309476D+00 -0.162725D+00  0.490906D+02  0.251248D+01
      6   0.613215D+01 -0.252656D+00  0.366004D+01  0.678555D+01  0.220047D+01
               191           192           193           194           195 
      1   0.140989D+02  0.165822D+01  0.692490D+01 -0.101679D+02 -0.584782D+00
      2  -0.147579D+02 -0.649377D+00 -0.768197D+01  0.915382D+01  0.145104D+01
      3   0.659075D+00 -0.100884D+01  0.757074D+00  0.101405D+01 -0.866255D+00
      4  -0.467542D+01  0.217276D+01  0.869611D+00 -0.101910D+01  0.198159D+01
      5   0.115473D+01 -0.181684D+01  0.483265D-01  0.232505D+01  0.765249D+00
      6   0.425375D+00 -0.353202D+01  0.652590D+00  0.110615D+01  0.188501D+01
               196           197           198           199           200 
      1   0.321106D+01 -0.226983D+01 -0.517058D+01  0.287902D+01  0.137660D+01
      2  -0.103003D+01  0.296522D+01  0.200790D+01 -0.216775D+01  0.177858D+01
      3  -0.218103D+01 -0.695385D+00  0.316268D+01 -0.711268D+00 -0.315518D+01
      4   0.119509D+01  0.371696D+01  0.161228D+01  0.555367D+01  0.936060D+01
      5   0.104381D+01  0.264208D+01 -0.307414D+01 -0.100817D+02 -0.352896D+01
      6  -0.214429D+01  0.335996D+01 -0.104438D+01 -0.387575D+01 -0.202806D+01
               201           202           203           204           205 
      1  -0.670365D+01 -0.874850D+00 -0.987320D-01  0.242151D+01 -0.114701D+02
      2   0.522695D+01  0.238989D+01  0.151088D+01 -0.255884D+01  0.799126D+01
      3   0.147670D+01 -0.151504D+01 -0.141215D+01  0.137333D+00  0.347889D+01
      4  -0.552943D+01  0.598694D+01  0.603100D+01 -0.495040D+01 -0.899165D+01
      5   0.137899D+02 -0.655464D+00 -0.522542D+01  0.325522D+01  0.156612D+02
      6   0.529885D+01 -0.150428D+01 -0.307024D+01  0.725626D+01  0.711673D+01
               206           207           208           209           210 
      1   0.549569D+01 -0.631705D+01  0.130136D+02  0.861872D+01  0.530826D+01
      2  -0.563108D+01 -0.854259D+01  0.207644D+01  0.810870D+01 -0.683700D-01
      3   0.135392D+00  0.148596D+02 -0.150900D+02 -0.167274D+02 -0.523989D+01
      4  -0.138726D+02  0.160830D+02  0.255788D+02  0.327298D+02  0.803863D+01
      5   0.137942D+02 -0.487803D+02  0.770964D+01  0.562046D+01  0.875403D+01
      6   0.122557D+02 -0.276370D+02  0.492740D+01  0.440395D+01  0.599587D+01
               211           212           213           214           215 
      1   0.885829D+01 -0.293119D+01 -0.116771D+01  0.955163D+01 -0.248809D+01
      2   0.810230D+01  0.311105D+02  0.778528D+01 -0.435025D+00  0.127595D+02
      3  -0.169606D+02 -0.281793D+02 -0.661758D+01 -0.911660D+01 -0.102714D+02
      4   0.326499D+02  0.552500D+02  0.149427D+02  0.154719D+02  0.267620D+02
      5   0.635216D+01  0.134920D+02  0.104631D+02  0.108761D+02  0.133064D+02
      6   0.534915D+01  0.120831D+02  0.983375D+01  0.724876D+01  0.119039D+02
               216           217           218           219           220 
      1   0.122354D+01  0.248016D+02  0.102755D+01 -0.195163D+02  0.316999D+01
      2   0.239821D+01 -0.144777D+02 -0.343758D+00  0.110675D+02 -0.129714D+01
      3  -0.362176D+01 -0.103239D+02 -0.683795D+00  0.844880D+01 -0.187285D+01
      4   0.152125D+02  0.191102D+01  0.827214D+01  0.297836D+00  0.139022D+02
      5   0.900247D+01 -0.203957D+02  0.760795D+00  0.229880D+02  0.293302D+00
      6   0.804706D+01 -0.449317D+00  0.241266D+00  0.511647D+00 -0.829862D+00
               221           222           223           224           225 
      1   0.964487D+01  0.712533D+00 -0.497290D+02  0.188966D+01  0.287848D+02
      2  -0.482659D+01 -0.654405D+00  0.288723D+02 -0.158617D+01 -0.228698D+02
      3  -0.481828D+01 -0.581279D-01  0.208567D+02 -0.303490D+00 -0.591503D+01
      4  -0.152540D+01 -0.462367D+01  0.145543D-01 -0.111908D+02  0.571462D+00
      5  -0.435328D+01  0.796967D+00  0.416379D+02 -0.427270D+00 -0.677500D+02
      6  -0.503527D+00  0.394172D+01  0.167124D+01  0.398954D+01 -0.228752D+01
               226           227           228           229           230 
      1   0.234285D+02 -0.194205D+02  0.995358D+01 -0.430670D+02  0.283242D+02
      2  -0.113943D+02  0.934438D+01 -0.537510D+01  0.212203D+02 -0.931220D+01
      3  -0.120342D+02  0.100762D+02 -0.457848D+01  0.218466D+02 -0.190120D+02
      4  -0.199734D+02  0.223656D+02 -0.657336D+01  0.390178D+02 -0.612182D+02
      5   0.116744D+02 -0.742323D+01  0.115127D+02 -0.144998D+02  0.232464D+02
      6  -0.245946D+01  0.196777D+01 -0.923460D+00  0.431856D+01 -0.725072D+01
               231           232           233           234           235 
      1  -0.865761D+01  0.209030D+02 -0.742675D+01  0.130458D+02  0.535621D+02
      2   0.546744D+01 -0.117432D+02  0.476302D+01 -0.942873D+01 -0.257663D+02
      3   0.319017D+01 -0.915983D+01  0.266373D+01 -0.361711D+01 -0.277958D+02
      4   0.217176D+02 -0.111775D+02  0.238500D+02 -0.139485D+02  0.316112D+02
      5  -0.193510D+02  0.203973D+02 -0.152033D+02  0.137707D+02  0.231648D+02
      6   0.571938D+01 -0.220993D+01  0.596699D+01 -0.415299D+01  0.512677D+01
               236           237           238           239           240 
      1   0.260906D+02  0.181117D+02  0.546454D+02  0.279003D+02  0.127124D+02
      2  -0.115610D+02 -0.967743D+01 -0.243942D+02 -0.774948D+01 -0.642374D+01
      3  -0.145296D+02 -0.843425D+01 -0.302511D+02 -0.201509D+02 -0.628865D+01
      4   0.267460D+02  0.115077D+02  0.438128D+02  0.420460D+02  0.209546D+02
      5   0.119656D+02  0.194935D+02  0.212210D+02  0.215910D+02  0.203868D+02
      6   0.329582D+01  0.294398D+01  0.672611D+01  0.734654D+01  0.651924D+01
               241           242           243           244           245 
      1   0.348029D+02  0.109928D+02  0.195517D+02  0.188284D+01  0.372141D+01
      2  -0.187244D+02 -0.523459D+01 -0.128273D+02 -0.330997D+01 -0.189288D+01
      3  -0.160785D+02 -0.575817D+01 -0.672444D+01  0.142712D+01 -0.182853D+01
      4   0.183368D+02  0.233500D+02  0.155977D+02  0.630703D+01  0.685269D+01
      5   0.308484D+02  0.160743D+02  0.202768D+02 -0.105456D+02 -0.257250D+01
      6   0.559426D+01  0.657835D+01  0.587620D+01 -0.438676D+01 -0.616741D+00
               246           247           248           249           250 
      1  -0.603014D+01  0.436334D+01  0.781891D-01  0.208224D+01 -0.847590D+01
      2   0.434105D+01 -0.181443D+01  0.106237D+01 -0.139027D+01  0.744559D+01
      3   0.168908D+01 -0.254891D+01 -0.114056D+01 -0.691963D+00  0.103030D+01
      4  -0.346153D+01  0.104018D+02  0.715859D+01 -0.762410D+01 -0.614939D+01
      5   0.113335D+02 -0.364909D+01 -0.781328D+01  0.106984D+02  0.158751D+02
      6   0.249425D+01 -0.213263D+01 -0.600803D+01  0.781257D+01  0.413208D+01
               251           252           253           254           255 
      1   0.234997D+01 -0.435724D+01 -0.799098D+02 -0.795197D+01  0.648908D+01
      2   0.431666D+00 -0.886917D+01  0.395939D+02  0.120126D+02 -0.474722D+01
      3  -0.278164D+01  0.132264D+02  0.403159D+02 -0.406064D+01 -0.174186D+01
      4  -0.110168D+02  0.108635D+02 -0.123097D+02  0.234967D+02  0.996017D+01
      5   0.963335D+01 -0.346642D+02  0.972246D+01  0.713931D+01  0.133506D+02
      6   0.767837D+01 -0.127897D+02  0.777619D+01  0.590642D+01  0.495959D+01
               256           257           258           259           260 
      1   0.106851D+02  0.342291D+02  0.276934D+01  0.266823D+02  0.346337D+01
      2  -0.134900D+01 -0.370994D+02 -0.686477D+01 -0.114597D+02 -0.320408D+01
      3  -0.933614D+01  0.287020D+01  0.409543D+01 -0.152226D+02 -0.259288D+00
      4   0.265954D+02 -0.249379D+02  0.518969D+01  0.200849D+02  0.145321D+02
      5   0.116921D+02  0.787703D+01  0.179412D+02  0.194739D+02  0.197698D+02
      6   0.646459D+01 -0.383803D+01  0.595843D+01  0.847404D+01  0.822701D+01
               261           262           263           264           265 
      1   0.145330D+02  0.819109D+01 -0.908817D+01  0.266395D+01 -0.823005D+01
      2   0.610132D+01  0.130401D+01 -0.102511D+01 -0.141835D+00 -0.748170D+01
      3  -0.206343D+02 -0.949509D+01  0.101133D+02 -0.252211D+01  0.157117D+02
      4   0.229363D+02 -0.155943D+02  0.188162D+02 -0.421672D+01  0.297099D+02
      5  -0.179638D+02  0.543981D+01 -0.453883D+01  0.392420D+01 -0.788741D+01
      6  -0.266201D+01 -0.325728D+01  0.317228D+01 -0.159060D+01  0.587313D+01
               266           267           268           269           270 
      1  -0.247918D+01 -0.385350D-01  0.107013D+00  0.124920D+01 -0.452380D+00
      2   0.308517D+02 -0.498079D+01 -0.201243D+01  0.334732D+01  0.131082D+01
      3  -0.283725D+02  0.501933D+01  0.190542D+01 -0.459652D+01 -0.858442D+00
      4  -0.615141D+02  0.128238D+02  0.227474D+01 -0.420404D+01 -0.421886D+01
      5   0.137700D+02 -0.110977D+02  0.309892D+01 -0.425885D+01  0.478924D+01
      6  -0.134491D+02  0.758922D+01 -0.175155D+01  0.435047D+01 -0.288272D+01
               271           272           273           274           275 
      1   0.547451D+01 -0.111746D+00  0.540132D+01 -0.695077D+01 -0.569049D+01
      2  -0.524802D+01 -0.109195D+01 -0.195731D+01  0.351323D+01  0.249955D+01
      3  -0.226490D+00  0.120369D+01 -0.344401D+01  0.343754D+01  0.319094D+01
      4  -0.125563D+01 -0.351356D+01 -0.427483D+00 -0.344661D+01 -0.232659D+01
      5   0.283629D+01 -0.171800D+01 -0.273900D+00 -0.477574D+01  0.347378D+01
      6  -0.480683D+00 -0.168322D+01 -0.129856D+01 -0.105968D+01 -0.374825D+00
               276           277           278           279           280 
      1  -0.384559D+00  0.108065D+02 -0.144026D+00 -0.115084D+02  0.126144D+03
      2   0.499015D+01 -0.720964D+01  0.445024D+01 -0.155905D+02 -0.596400D+02
      3  -0.460559D+01 -0.359690D+01 -0.430621D+01  0.270989D+02 -0.665038D+02
      4   0.373303D+01  0.463862D+01  0.932183D+01 -0.338352D+01  0.422572D+02
      5  -0.988394D+01  0.104776D+02 -0.246851D+01  0.432378D+02  0.110155D+02
      6   0.765080D+00  0.174997D+01  0.393580D+01  0.124102D+02 -0.445074D-01
               281           282           283           284           285 
      1   0.110327D+02 -0.490797D+00 -0.392724D+01  0.702260D+01 -0.207095D+00
      2  -0.165571D+01 -0.729319D+00  0.480190D+01 -0.192618D+00  0.588257D+00
      3  -0.937699D+01  0.122012D+01 -0.874657D+00 -0.682998D+01 -0.381162D+00
      4   0.186193D+02  0.133577D+01  0.128815D+02  0.646814D+01 -0.100997D+01
      5   0.194560D+01  0.132583D+02 -0.106758D+01 -0.648710D+00 -0.215816D+01
      6   0.184395D+01  0.373334D+01  0.517515D+00  0.526017D+00  0.192284D+00
               286           287           288           289           290 
      1  -0.154389D+02 -0.171464D+01  0.870507D+01  0.594688D+00  0.135996D+02
      2   0.606666D+01 -0.683562D-01 -0.639660D+01  0.286991D+01 -0.138270D+02
      3   0.937225D+01  0.178300D+01 -0.230847D+01 -0.346460D+01  0.227416D+00
      4  -0.688514D+01 -0.470405D+01  0.123870D+01  0.380670D+01 -0.669520D+01
      5   0.117126D+02 -0.563553D+00 -0.565064D+00 -0.179409D+01 -0.640168D+00
      6   0.309143D+01  0.546426D+00 -0.580682D+00 -0.453606D-01 -0.289210D+01
               291           292           293           294           295 
      1   0.377339D+00  0.118532D+02 -0.319331D+02 -0.314603D+01 -0.395019D+01
      2  -0.320279D+00 -0.452450D+01  0.527315D+02  0.321983D+01  0.113366D+01
      3  -0.570601D-01 -0.732867D+01 -0.207984D+02 -0.738048D-01  0.281653D+01
      4  -0.224515D+01  0.108427D+02  0.577550D+02  0.623478D+01 -0.324313D+01
      5  -0.286491D+01  0.298204D+01  0.369402D+01  0.714845D+01 -0.501585D+00
      6  -0.251136D+01  0.572058D+00  0.117879D+02  0.776912D+01 -0.534016D+00
               296           297 
      1  -0.112434D+01 -0.581462D+01
      2  -0.142340D+01  0.410114D+01
      3   0.254775D+01  0.171347D+01
      4  -0.384195D+01  0.331610D+01
      5   0.423761D+01  0.210338D+01
      6   0.643104D+01  0.123651D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.314295D+00      0.798859D+00      0.266471D+01
   y         -0.273839D+00     -0.696028D+00     -0.232170D+01
   z         -0.559695D+00     -0.142260D+01     -0.474529D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.207575D+03      0.307594D+02      0.342245D+02
   yx        -0.191561D+01     -0.283864D+00     -0.315841D+00
   yy         0.129422D+03      0.191783D+02      0.213388D+02
   zx        -0.116276D+00     -0.172304D-01     -0.191714D-01
   zy        -0.693532D+01     -0.102771D+01     -0.114348D+01
   zz         0.142424D+03      0.211050D+02      0.234825D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166831D+03      0.247218D+02      0.275067D+02
   aniso      0.761588D+02      0.112856D+02      0.125569D+02
   xx         0.216285D+03      0.320501D+02      0.356606D+02
   yx        -0.207863D+01     -0.308022D+00     -0.342720D+00
   yy         0.135126D+03      0.200236D+02      0.222793D+02
   zx        -0.547195D+00     -0.810859D-01     -0.902202D-01
   zy        -0.676684D+01     -0.100274D+01     -0.111570D+01
   zz         0.149081D+03      0.220915D+02      0.245802D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.01113142         -0.48796070          2.68194430
     6          2.18577460          0.85921540          2.13610506
     6         -2.17298501         -0.22171621          1.22050069
     6         -2.20464242          1.41359539         -0.84375156
     6         -0.01251463          2.76120003         -1.39958082
     6          2.14316600          2.49281692          0.06992307
     6          4.55740417          0.51810717          3.66689604
     6          6.58407700         -1.11079587          2.35334701
     6          5.64182101         -3.79240573          1.85082645
     6          9.01212866         -1.13788945          3.91521417
     6         -4.54729734          1.75499155         -2.46941037
     6         -5.00549515         -0.62014795         -4.01224126
     8         -4.40222247         -0.89932027         -6.18587931
     8         -6.16276069         -2.46814925         -2.66942818
     1         -0.02734429         -1.77272989          4.27593174
     1         -3.83935618         -1.31172126          1.68212836
     1          0.00382418          4.03911533         -2.99853562
     1          3.81925624          3.57340864         -0.39658763
     1          4.09077003         -0.34668748          5.48595917
     1          5.37615292          2.36956171          4.08350734
     1          6.99942787         -0.22637568          0.52780470
     1          3.94906726         -3.79440587          0.67629834
     1          5.18272798         -4.74723111          3.62613111
     1          7.08598819         -4.91060593          0.89182207
     1          8.68084068         -1.99438356          5.76666274
     1          9.73060771          0.77200780          4.22417684
     1         10.48902195         -2.22990680          2.97567967
     1         -4.12653570          3.20224281         -3.87189263
     6         -6.87498291          2.55788381         -0.94305434
     1         -6.30826449         -3.91712988         -3.78230505
     1         -7.36543654          1.15237607          0.47584569
     1         -8.50749853          2.82104536         -2.17501837
     1         -6.48531872          4.33980441          0.01453393

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.697874D+00      0.177382D+01      0.591682D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.192570D+03      0.285359D+02      0.317505D+02
   yx        -0.376469D+00     -0.557869D-01     -0.620713D-01
   yy         0.136818D+03      0.202744D+02      0.225583D+02
   zx         0.289520D+02      0.429025D+01      0.477355D+01
   zy        -0.108768D+02     -0.161178D+01     -0.179335D+01
   zz         0.150032D+03      0.222325D+02      0.247370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166831D+03      0.247218D+02      0.275067D+02
   aniso      0.761588D+02      0.112856D+02      0.125569D+02
   xx         0.200477D+03      0.297076D+02      0.330542D+02
   yx        -0.529675D+00     -0.784897D-01     -0.873316D-01
   yy         0.142581D+03      0.211284D+02      0.235085D+02
   zx         0.300349D+02      0.445071D+01      0.495209D+01
   zy        -0.112611D+02     -0.166872D+01     -0.185670D+01
   zz         0.157434D+03      0.233293D+02      0.259574D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
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 955,-0.2738385,-0.5596951\DipoleDeriv=-0.1508046,-0.0082758,-0.0520744
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 IT IS A QUALITY OF REVOLUTIONS NOT TO GO BY OLD LINES OR OLD LAWS,
 BUT TO BREAK UP BOTH, AND MAKE NEW ONES.
                                              -- A. LINCOLN (1848)
 Job cpu time:       0 days 14 hours 29 minutes 13.9 seconds.
 Elapsed time:       0 days  1 hours 48 minutes 50.5 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:18:32 2021.
